3-(4H-1,2,4-Triazol-4-yl)aniline - CAS 252928-92-0
Catalog: |
BB018844 |
Product Name: |
3-(4H-1,2,4-Triazol-4-yl)aniline |
CAS: |
252928-92-0 |
Synonyms: |
3-(1,2,4-triazol-4-yl)aniline |
IUPAC Name: | 3-(1,2,4-triazol-4-yl)aniline |
Description: | 3-(4H-1,2,4-Triazol-4-yl)aniline (CAS# 252928-92-0) is a useful research chemical. |
Molecular Weight: | 160.18 |
Molecular Formula: | C8H8N4 |
Canonical SMILES: | C1=CC(=CC(=C1)N)N2C=NN=C2 |
InChI: | InChI=1S/C8H8N4/c9-7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,9H2 |
InChI Key: | WPGPBPCIYBWYMQ-UHFFFAOYSA-N |
Boiling Point: | 394.5 °C at 760 mmHg |
Density: | 1.32 g/cm3 |
MDL: | MFCD07395923 |
LogP: | 1.43070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2009244897-A1 | 2, 6-diamino- pyrimidin- 5-yl-carboxamides as syk or JAK kinases inhibitors | 20080416 |
AU-2009244897-A2 | 2, 6-diamino- pyrimidin- 5-yl-carboxamides as syk or JAK kinases inhibitors | 20080416 |
AU-2009244897-B2 | 2, 6-diamino- pyrimidin- 5-yl-carboxamides as syk or JAK kinases inhibitors | 20080416 |
CA-2728893-A1 | Inhibitors of syk protein kinase | 20080416 |
CA-2728893-C | Inhibitors of syk protein kinase | 20080416 |
Complexity: | 144 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Triazole/Tetrazole
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