(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS 423165-07-5) — formula C13H22N4, molecular weight 234.34; category organic chemicals.
| CAS Number | 423165-07-5 |
|---|---|
| Molecular Formula | C13H22N4 |
| Molecular Weight | 234.34 |
| LogP | 1.6 |
| Category | Organic Chemicals |
(1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane is a carbon-based organic compound with CAS registry number 423165-07-5 and molecular formula C13H22N4 (molecular weight 234.34), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 423165-07-5
Its molecular formula C13H22N4 comprises 13 C, 22 H, 4 N atoms.
Also known as: (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane · (1R,3s,5S)-3-(3-异丙基-5-甲基-4H-1,2,4-三唑-4-基)-8-氮杂双环[3.2.1]辛烷
Category: organic chemicals
The CAS registry number of (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane is 423165-07-5.
Molecular formula C13H22N4, molecular weight 234.34.
It is also registered under: (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (1R,3s,5S)-3-(3-异丙基-5-甲基-4H-1,2,4-三唑-4-基)-8-氮杂双环[3.2.1]辛烷.
Category: Organic Chemicals.
Independent reference data for (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS 423165-07-5), compiled from public chemistry databases.
| CAS 号 | 423165-07-5 |
|---|---|
| PubChem CID | 11356762 |
| 分子式 | C13H22N4 |
| IUPAC 名称 | (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane |
| UNII（FDA） | W3U46P8KEY |
| Molecular Weight | 234.34 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 234.18444672 |
| Monoisotopic Mass | 234.18444672 |
| Topological Polar Surface Area | 42.7 |
| Heavy Atom Count | 17 |
423165-07-5; (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane; exo-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane; MFCD12912695; (1R,3s,5S)-rel-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane; (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane; C13H22N4; Des[1-(4,4-difluorocyclohexanecarboxamido)-1-phenylpropyl] Maraviroc; (1S,5R)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane; (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane; (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane; Maraviroc Intermediate 2; BY6PC963PN; SCHEMBL13543096; SCHEMBL13543097; SCHEMBL18815624
(1R,3s,5S)-3-(3-异丙基-5-甲基-4H-1,2,4-三唑-4-基)-8-氮杂双环[3.2.1]辛烷 · CAS 423165-07-5 · C13H22N4. UNII W3U46P8KEY.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (1R,3s,5S)-3-(3-异丙基-5-甲基-4H-1,2,4-三唑-4-基)-8-氮杂双环[3.2.1]辛烷