1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine

C12H16N4 — CID 66206874

IUPAC1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccc(C)cc2C)nn1
InChIInChI=1S/C12H16N4/c1-9-4-5-12(10(2)6-9)16-8-11(7-13-3)14-15-16/h4-6,8,13H,7H2,1-3H3
InChIKeyIBHKPNFZJOJRMS-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.60
Rot. Bonds3

About 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine

1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 66206874) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID66206874
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(-c2ccc(C)cc2C)nn1
InChIInChI=1S/C12H16N4/c1-9-4-5-12(10(2)6-9)16-8-11(7-13-3)14-15-16/h4-6,8,13H,7H2,1-3H3
InChIKeyIBHKPNFZJOJRMS-UHFFFAOYSA-N
XLogP1.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine 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 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine (CID 66206874) is 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cn(-c2ccc(C)cc2C)nn1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is IBHKPNFZJOJRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-5-12(10(2)6-9)16-8-11(7-13-3)14-15-16/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine?
1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66206874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).