4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

C13H13N7 — CID 31054534

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCn1ncnc1-c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C13H13N7/c1-20-12(17-9-18-20)11-5-7-15-13(19-11)16-8-10-4-2-3-6-14-10/h2-7,9H,8H2,1H3,(H,15,16,19)
InChIKeyDMDQNPPTWSNFFZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.28
Rot. Bonds4

About 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine

4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 31054534) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
PubChem CID31054534
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
SMILESCn1ncnc1-c1ccnc(NCc2ccccn2)n1
InChIInChI=1S/C13H13N7/c1-20-12(17-9-18-20)11-5-7-15-13(19-11)16-8-10-4-2-3-6-14-10/h2-7,9H,8H2,1H3,(H,15,16,19)
InChIKeyDMDQNPPTWSNFFZ-UHFFFAOYSA-N
XLogP1.28
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-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 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine (CID 31054534) is 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is Cn1ncnc1-c1ccnc(NCc2ccccn2)n1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is DMDQNPPTWSNFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-20-12(17-9-18-20)11-5-7-15-13(19-11)16-8-10-4-2-3-6-14-10/h2-7,9H,8H2,1H3,(H,15,16,19).
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine?
4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 267.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 31054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).