4-(1,2,4-Triazol-1-yl)aniline

C₈H₈N₄CAS 6523-49-5160.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈N₄
Molar mass: 160.18 g/mol
Exact mass: 160.0749 Da
logP: 0.85Crippen estimate
Polar surface area: 56.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6523-49-5

SMILES

C1=CC(=CC=C1N)N2C=NC=N2

InChIKey

BLNPEJXSNSBBNM-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N4/c9-7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-(1,2,4-Triazol-1-yl)aniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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. All similar compounds

Same formula

5-Benzyl-1H-tetrazole18489-25-3 5-(4-Methylphenyl)-2H-tetrazole24994-04-5 N-(4-Cyanophenyl)guanidine5637-42-3 Hydralazine86-54-4

Elsewhere

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