4-(1,2,4-Triazol-1-yl)aniline
Properties
- Molecular formula
- C8H8N4
- Molar mass
- 160.18 g/mol
- Exact mass
- 160.0749 Da
- logP
- 0.85Crippen estimate
- Polar surface area
- 56.7 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed66.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6523-49-5SMILES
C1=CC(=CC=C1N)N2C=NC=N2InChIKey
BLNPEJXSNSBBNM-UHFFFAOYSA-NInChI
InChI=1S/C8H8N4/c9-7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(1,2,4-Triazol-1-yl)aniline
Similar compounds
4-(1,2,4-Triazol-1-yl)phenol68337-15-560 % similar
4-(1H-1,2,4-Triazol-1-yl)benzaldehyde27996-86-755 % similar
Fluconazole impurity C514222-44-753 % similar
1-(4-Aminobenzyl)-1,2,4-triazole119192-10-850 % similar
4-(1H-Pyrazol-1-yl)aniline17635-45-950 % similar
4-(1H-Imidazol-1-yl)aniline2221-00-345 % similar
3-(1H-1,2,4-Triazol-1-yl)benzoic acid167626-64-438 % similar
P-Phenylenediamine106-50-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.