6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine

C12H14N4 — CID 116823137

IUPAC6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc(C)cc1C
InChIInChI=1S/C12H14N4/c1-8-4-5-10(9(2)6-8)11-12(13-3)14-7-15-16-11/h4-7H,1-3H3,(H,13,14,15)
InChIKeyOCVKAXJELZJNNS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.20
Rot. Bonds2

About 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine

6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine (PubChem CID 116823137) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine
PubChem CID116823137
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine
SMILESCNc1ncnnc1-c1ccc(C)cc1C
InChIInChI=1S/C12H14N4/c1-8-4-5-10(9(2)6-8)11-12(13-3)14-7-15-16-11/h4-7H,1-3H3,(H,13,14,15)
InChIKeyOCVKAXJELZJNNS-UHFFFAOYSA-N
XLogP2.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine 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 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine (CID 116823137) is 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine is CNc1ncnnc1-c1ccc(C)cc1C.
What is the InChIKey of 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
The InChIKey is OCVKAXJELZJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-4-5-10(9(2)6-8)11-12(13-3)14-7-15-16-11/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine?
6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine has a molecular weight of 214.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-N-methyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 116823137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).