3-(1,2,4-Triazol-1-yl)aniline - CAS 176032-78-3
Catalog: |
BB013191 |
Product Name: |
3-(1,2,4-Triazol-1-yl)aniline |
CAS: |
176032-78-3 |
Synonyms: |
3-(1,2,4-triazol-1-yl)aniline; 3-(1,2,4-triazol-1-yl)aniline |
IUPAC Name: | 3-(1,2,4-triazol-1-yl)aniline |
Description: | 3-(1,2,4-Triazol-1-yl)aniline (CAS# 176032-78-3) is used in the preparation of N-(pyrimidinylaminophenyl) sulfonamides as ZAP-70 inhibitors. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | C1=CC(=CC(=C1)N)N2C=NC=N2 |
InChI: | InChI=1S/C8H8N4/c9-7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H,9H2 |
InChI Key: | QOHJDIAWBVPZFL-UHFFFAOYSA-N |
Boiling Point: | 394.5 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08271899 |
LogP: | 1.43070 |
Publication Number | Title | Priority Date |
CN-109476670-A | Bicyclic heteroaryl derivatives | 20161004 |
WO-2015150337-A1 | Lim kinase inhibitors | 20140401 |
US-10000482-B2 | Kinase inhibitors | 20121019 |
US-2015259340-A1 | Novel kinase inhibitors | 20121019 |
US-2015266882-A1 | Pyrazolo[4,3-d]pyrimidines as kinase inhibitors | 20121019 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.074896272 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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