2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H19FN4O — CID 75465597

IUPAC2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(C3CCCCC3)nn12
InChIInChI=1S/C18H19FN4O/c1-24-16-11-13(19)7-8-14(16)15-9-10-20-18-21-17(22-23(15)18)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3
InChIKeyLZZGAVPOWGHXCM-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.99
Rot. Bonds3

About 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 75465597) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID75465597
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1cc(F)ccc1-c1ccnc2nc(C3CCCCC3)nn12
InChIInChI=1S/C18H19FN4O/c1-24-16-11-13(19)7-8-14(16)15-9-10-20-18-21-17(22-23(15)18)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3
InChIKeyLZZGAVPOWGHXCM-UHFFFAOYSA-N
XLogP3.99
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[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-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 75465597) is 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1cc(F)ccc1-c1ccnc2nc(C3CCCCC3)nn12.
What is the InChIKey of 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is LZZGAVPOWGHXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-24-16-11-13(19)7-8-14(16)15-9-10-20-18-21-17(22-23(15)18)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 326.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 75465597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).