2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C18H14N4O2 — CID 17168527

IUPAC2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-14-9-7-13(8-10-14)17-20-18-19-15(11-16(23)22(18)21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20,21)
InChIKeyXCEVIPJFBSPENU-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.76
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 17168527) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID17168527
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1
InChIInChI=1S/C18H14N4O2/c1-24-14-9-7-13(8-10-14)17-20-18-19-15(11-16(23)22(18)21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20,21)
InChIKeyXCEVIPJFBSPENU-UHFFFAOYSA-N
XLogP2.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 17168527) is 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XCEVIPJFBSPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-24-14-9-7-13(8-10-14)17-20-18-19-15(11-16(23)22(18)21-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,19,20,21).
What are the key properties of 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 318.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17168527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).