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

C13H12N4O2 — CID 707925

IUPAC2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C13H12N4O2/c1-8-7-11(18)17-13(14-8)15-12(16-17)9-5-3-4-6-10(9)19-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyPTCIPMJQFRALSH-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.40
Rot. Bonds2

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

2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 707925) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID707925
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1nc2nc(C)cc(=O)n2[nH]1
InChIInChI=1S/C13H12N4O2/c1-8-7-11(18)17-13(14-8)15-12(16-17)9-5-3-4-6-10(9)19-2/h3-7H,1-2H3,(H,14,15,16)
InChIKeyPTCIPMJQFRALSH-UHFFFAOYSA-N
XLogP1.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-5-methyl-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

Related Compounds

Fabp4/5-IN-2
CID 58448012
5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
2-(3-Methoxyphenyl)-5-phenylpyrazolo[1,5-A]pyrimidin-7-OL
CID 2818874
3-(4-Methoxyphenyl)-7,8-dimethyl-pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
CID 510944
7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
CID 652810
2-[(2-methoxybenzyl)amino]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 666620
Methyl [7-hydroxy-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
CID 666850
2-[(2-methoxybenzyl)amino]-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 666933
6-benzyl-2-(4-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 667143
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxybenzamide
CID 930080
2-(phenoxymethyl)-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 1266350
2-(4-Methoxyphenyl)-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 1851458

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 707925) is 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccccc1-c1nc2nc(C)cc(=O)n2[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PTCIPMJQFRALSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-8-7-11(18)17-13(14-8)15-12(16-17)9-5-3-4-6-10(9)19-2/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 256.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 707925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).