7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

C12H12N4O — CID 5008394

IUPAC7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C12H12N4O/c1-8-2-4-9(5-3-8)10-6-11(17)15-12-13-7-14-16(10)12/h2-5,7,10H,6H2,1H3,(H,13,14,15,17)
InChIKeyPPGQAQGGYZQMPH-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.52
Rot. Bonds1

About 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (PubChem CID 5008394) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
PubChem CID5008394
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(C2CC(=O)Nc3ncnn32)cc1
InChIInChI=1S/C12H12N4O/c1-8-2-4-9(5-3-8)10-6-11(17)15-12-13-7-14-16(10)12/h2-5,7,10H,6H2,1H3,(H,13,14,15,17)
InChIKeyPPGQAQGGYZQMPH-UHFFFAOYSA-N
XLogP1.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 5070088
2-amino-5-phenyl-5,6-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 135460506
7-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
CID 2933025
1-[5-Methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2792439
N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
CID 664858
5-(4-Methylphenyl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4594411
N-(5-Oxo-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-benzamide
CID 5198984
2-(4-tert-butylphenyl)-N-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 145978317
2-methyl-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 3632338
1-[7-(4-Fluorophenyl)-1,7-dihydro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2791019
1-[7-(2-Fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 4085893
4-methyl-N-(5-oxo-7-phenyl-3,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
CID 4325938

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one (CID 5008394) is 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is Cc1ccc(C2CC(=O)Nc3ncnn32)cc1.
What is the InChIKey of 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
The InChIKey is PPGQAQGGYZQMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-2-4-9(5-3-8)10-6-11(17)15-12-13-7-14-16(10)12/h2-5,7,10H,6H2,1H3,(H,13,14,15,17).
What are the key properties of 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one?
7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one has a molecular weight of 228.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 5008394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).