7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine

C13H13N5 — CID 23606404

IUPAC7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
SMILESCc1ccc(Nc2cc(C)nc3nncn23)cc1
InChIInChI=1S/C13H13N5/c1-9-3-5-11(6-4-9)16-12-7-10(2)15-13-17-14-8-18(12)13/h3-8,16H,1-2H3
InChIKeyWRNXGSBTSFBAMO-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.48
Rot. Bonds2

About 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine

7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine (PubChem CID 23606404) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine.

Molecular Properties

Compound Name7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
PubChem CID23606404
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
SMILESCc1ccc(Nc2cc(C)nc3nncn23)cc1
InChIInChI=1S/C13H13N5/c1-9-3-5-11(6-4-9)16-12-7-10(2)15-13-17-14-8-18(12)13/h3-8,16H,1-2H3
InChIKeyWRNXGSBTSFBAMO-UHFFFAOYSA-N
XLogP2.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-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 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The IUPAC name of 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine (CID 23606404) is 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine.
What is the SMILES notation for 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The canonical SMILES for 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine is Cc1ccc(Nc2cc(C)nc3nncn23)cc1.
What is the InChIKey of 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
The InChIKey is WRNXGSBTSFBAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-3-5-11(6-4-9)16-12-7-10(2)15-13-17-14-8-18(12)13/h3-8,16H,1-2H3.
What are the key properties of 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine?
7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine has a molecular weight of 239.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine is sourced from PubChem (CID 23606404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).