6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C18H18ClFN4O — CID 142647415

IUPAC6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC1CCC(c2c(-c3c(F)cccc3Cl)c(=O)[nH]c3ncnn23)CC1
InChIInChI=1S/C18H18ClFN4O/c1-10-5-7-11(8-6-10)16-15(14-12(19)3-2-4-13(14)20)17(25)23-18-21-9-22-24(16)18/h2-4,9-11H,5-8H2,1H3,(H,21,22,23,25)
InChIKeyWQGWYTJFPBHGBE-UHFFFAOYSA-N
MW360.82 g/mol
LogP4.17
Rot. Bonds2

About 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 142647415) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID142647415
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCC1CCC(c2c(-c3c(F)cccc3Cl)c(=O)[nH]c3ncnn23)CC1
InChIInChI=1S/C18H18ClFN4O/c1-10-5-7-11(8-6-10)16-15(14-12(19)3-2-4-13(14)20)17(25)23-18-21-9-22-24(16)18/h2-4,9-11H,5-8H2,1H3,(H,21,22,23,25)
InChIKeyWQGWYTJFPBHGBE-UHFFFAOYSA-N
XLogP4.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one 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 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 142647415) is 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is CC1CCC(c2c(-c3c(F)cccc3Cl)c(=O)[nH]c3ncnn23)CC1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is WQGWYTJFPBHGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-10-5-7-11(8-6-10)16-15(14-12(19)3-2-4-13(14)20)17(25)23-18-21-9-22-24(16)18/h2-4,9-11H,5-8H2,1H3,(H,21,22,23,25).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 360.82 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-7-(4-methylcyclohexyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 142647415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).