[2-(1,2,4-triazol-1-yl)phenyl]methanamine

C9H10N4 — CID 4913133

IUPAC[2-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESNCc1ccccc1-n1cncn1
InChIInChI=1S/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKeyNIIBEJVCPXCXBQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

About [2-(1,2,4-triazol-1-yl)phenyl]methanamine

[2-(1,2,4-triazol-1-yl)phenyl]methanamine (PubChem CID 4913133) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is [2-(1,2,4-triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1,2,4-triazol-1-yl)phenyl]methanamine
PubChem CID4913133
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name[2-(1,2,4-triazol-1-yl)phenyl]methanamine
SMILESNCc1ccccc1-n1cncn1
InChIInChI=1S/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2
InChIKeyNIIBEJVCPXCXBQ-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1,2,4-triazol-1-yl)phenyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(1,2,4-triazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-(1,2,4-triazol-1-yl)phenyl]methanamine (CID 4913133) is [2-(1,2,4-triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-(1,2,4-triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-(1,2,4-triazol-1-yl)phenyl]methanamine is NCc1ccccc1-n1cncn1.
What is the InChIKey of [2-(1,2,4-triazol-1-yl)phenyl]methanamine?
The InChIKey is NIIBEJVCPXCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2.
What are the key properties of [2-(1,2,4-triazol-1-yl)phenyl]methanamine?
[2-(1,2,4-triazol-1-yl)phenyl]methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,4-triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 4913133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).