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

C7H7ClN4 — CID 15575744

IUPAC7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)nc2n1
InChIInChI=1S/C7H7ClN4/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,1-2H3
InChIKeyGLKHXXSXNAXYNL-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.39
Rot. Bonds

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

7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15575744) has the molecular formula C7H7ClN4 and a molecular weight of 182.61 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15575744
Molecular FormulaC7H7ClN4
Molecular Weight182.61 g/mol
Exact Mass182.04
IUPAC Name7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C)nc2n1
InChIInChI=1S/C7H7ClN4/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,1-2H3
InChIKeyGLKHXXSXNAXYNL-UHFFFAOYSA-N
XLogP1.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2,5-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 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15575744) is 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C)nc2n1.
What is the InChIKey of 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is GLKHXXSXNAXYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,1-2H3.
What are the key properties of 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 182.61 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15575744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).