2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C14H13ClN4 — CID 935590

IUPAC2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(Cc3ccccc3)nn2c(C)c1Cl
InChIInChI=1S/C14H13ClN4/c1-9-13(15)10(2)19-14(16-9)17-12(18-19)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyOKGVGRYXFRKRAP-UHFFFAOYSA-N
MW272.74 g/mol
LogP2.99
Rot. Bonds2

About 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 935590) has the molecular formula C14H13ClN4 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID935590
Molecular FormulaC14H13ClN4
Molecular Weight272.74 g/mol
Exact Mass272.08
IUPAC Name2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2nc(Cc3ccccc3)nn2c(C)c1Cl
InChIInChI=1S/C14H13ClN4/c1-9-13(15)10(2)19-14(16-9)17-12(18-19)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyOKGVGRYXFRKRAP-UHFFFAOYSA-N
XLogP2.99
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine 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-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 935590) is 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2nc(Cc3ccccc3)nn2c(C)c1Cl.
What is the InChIKey of 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OKGVGRYXFRKRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4/c1-9-13(15)10(2)19-14(16-9)17-12(18-19)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 272.74 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 935590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).