(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine

C10H12N4 — CID 62732620

IUPAC(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1nc(-c2ccccc2)nc1CN
InChIInChI=1S/C10H12N4/c1-14-9(7-11)12-10(13-14)8-5-3-2-4-6-8/h2-6H,7,11H2,1H3
InChIKeyQJJJZRBQWJEQAW-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.94
Rot. Bonds2

About (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine

(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 62732620) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
PubChem CID62732620
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
SMILESCn1nc(-c2ccccc2)nc1CN
InChIInChI=1S/C10H12N4/c1-14-9(7-11)12-10(13-14)8-5-3-2-4-6-8/h2-6H,7,11H2,1H3
InChIKeyQJJJZRBQWJEQAW-UHFFFAOYSA-N
XLogP0.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487224
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697
N-methyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 62734128
[5-(4-cyclohexylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 96667777
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691
1-N-ethyl-1-N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]propane-1,2-diamine
CID 166312810
N-[(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]prop-2-en-1-amine
CID 115277894
2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
CID 66167131
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226936
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278
5-[(3-methoxy-2-methylpropyl)sulfonylmethyl]-1-methyl-3-phenyl-1,2,4-triazole
CID 167864784

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine (CID 62732620) is (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine is Cn1nc(-c2ccccc2)nc1CN.
What is the InChIKey of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is QJJJZRBQWJEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-14-9(7-11)12-10(13-14)8-5-3-2-4-6-8/h2-6H,7,11H2,1H3.
What are the key properties of (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine?
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 188.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 62732620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).