2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one

C14H13N5O — CID 162652155

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(C)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-9-15-10(2)19(18-9)14-16-12(8-13(20)17-14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17,20)
InChIKeySLVNDHGLGRRZAJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.63
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 162652155) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID162652155
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one
SMILESCc1nc(C)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-9-15-10(2)19(18-9)14-16-12(8-13(20)17-14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17,20)
InChIKeySLVNDHGLGRRZAJ-UHFFFAOYSA-N
XLogP1.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-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

7-Amino-5-oxo-2-phenyl-5,8-dihydro(1,2,4)triazolo[1,5-a]pyridine-6-carbonitrile
CID 1476831
3-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135496469
3-(4-Bromophenyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7-ol
CID 135516978
N-[5-hydroxy-2-(4-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135520923
N-[5-hydroxy-2-(3-methylphenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-2-methylpropanamide
CID 135448581
N-(5-hydroxy-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylbutanamide
CID 135472128
N-(3-Methyl-1H-1,2,4-triazol-5-yl)cinnamamide
CID 946304
3-(Cyanomethyl)-8-methyl-7-oxo-5-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
CID 72205246
7-methyl-2-phenacyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 136747705
1-(5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
CID 828599
7-Phenyltetrazolo[1,5-a]pyrimidin-5(4h)-one
CID 164185874
3-(4-fluorophenyl)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
CID 135512670

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one (CID 162652155) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one is Cc1nc(C)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is SLVNDHGLGRRZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-15-10(2)19(18-9)14-16-12(8-13(20)17-14)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,16,17,20).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 267.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162652155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).