2-methyl-4-(triazol-1-yl)aniline

C9H10N4 — CID 82512131

IUPAC2-methyl-4-(triazol-1-yl)aniline
SMILESCc1cc(-n2ccnn2)ccc1N
InChIInChI=1S/C9H10N4/c1-7-6-8(2-3-9(7)10)13-5-4-11-12-13/h2-6H,10H2,1H3
InChIKeyNQXAEICEKNSUDF-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.16
Rot. Bonds1

About 2-methyl-4-(triazol-1-yl)aniline

2-methyl-4-(triazol-1-yl)aniline (PubChem CID 82512131) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-methyl-4-(triazol-1-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(triazol-1-yl)aniline
PubChem CID82512131
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-methyl-4-(triazol-1-yl)aniline
SMILESCc1cc(-n2ccnn2)ccc1N
InChIInChI=1S/C9H10N4/c1-7-6-8(2-3-9(7)10)13-5-4-11-12-13/h2-6H,10H2,1H3
InChIKeyNQXAEICEKNSUDF-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-(triazol-1-yl)aniline
CID 174620825
1-(3-chloro-4-methylphenyl)triazole
CID 144674616
2-methyl-5-(triazol-1-yl)benzoic acid
CID 84671343
2-(pyridine-4-carboximidoyl)-4-(triazol-1-yl)aniline
CID 87918756
4-imidazol-1-yl-2-methylaniline
CID 14450260
5-methyl-2,4-bis(triazol-1-yl)benzene-1,3-diamine
CID 134590073
[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride
CID 19977103
[2-fluoro-5-(triazol-1-yl)phenyl]methanamine
CID 84663836
4-fluoro-2-(triazol-1-yl)aniline
CID 84656326
[2-fluoro-4-(triazol-1-yl)phenyl]methanamine;hydrochloride
CID 68520918
2-bromo-5-(triazol-1-yl)pyridine
CID 84689550
3,5-bis(triazol-1-yl)pyridine
CID 164853015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(triazol-1-yl)aniline?
The IUPAC name of 2-methyl-4-(triazol-1-yl)aniline (CID 82512131) is 2-methyl-4-(triazol-1-yl)aniline.
What is the SMILES notation for 2-methyl-4-(triazol-1-yl)aniline?
The canonical SMILES for 2-methyl-4-(triazol-1-yl)aniline is Cc1cc(-n2ccnn2)ccc1N.
What is the InChIKey of 2-methyl-4-(triazol-1-yl)aniline?
The InChIKey is NQXAEICEKNSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-6-8(2-3-9(7)10)13-5-4-11-12-13/h2-6H,10H2,1H3.
What are the key properties of 2-methyl-4-(triazol-1-yl)aniline?
2-methyl-4-(triazol-1-yl)aniline has a molecular weight of 174.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(triazol-1-yl)aniline is sourced from PubChem (CID 82512131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).