5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H7ClF2N4 — CID 4776428

IUPAC5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2ccc(Cl)cc2)nc2ncnn12
InChIInChI=1S/C12H7ClF2N4/c13-8-3-1-7(2-4-8)9-5-10(11(14)15)19-12(18-9)16-6-17-19/h1-6,11H
InChIKeyKLHUVTNEMQRLLM-UHFFFAOYSA-N
MW280.67 g/mol
LogP3.38
Rot. Bonds2

About 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 4776428) has the molecular formula C12H7ClF2N4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID4776428
Molecular FormulaC12H7ClF2N4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2ccc(Cl)cc2)nc2ncnn12
InChIInChI=1S/C12H7ClF2N4/c13-8-3-1-7(2-4-8)9-5-10(11(14)15)19-12(18-9)16-6-17-19/h1-6,11H
InChIKeyKLHUVTNEMQRLLM-UHFFFAOYSA-N
XLogP3.38
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-7-(difluoromethyl)-[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 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 4776428) is 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)c1cc(-c2ccc(Cl)cc2)nc2ncnn12.
What is the InChIKey of 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KLHUVTNEMQRLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N4/c13-8-3-1-7(2-4-8)9-5-10(11(14)15)19-12(18-9)16-6-17-19/h1-6,11H.
What are the key properties of 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 280.67 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4776428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).