6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H16N4O — CID 1264955

IUPAC6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C19H16N4O/c1-13-16(12-14-8-4-2-5-9-14)18(24)23-19(20-13)21-17(22-23)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyJXCLYNUJRLWGDX-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.98
Rot. Bonds3

About 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1264955) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1264955
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1Cc1ccccc1
InChIInChI=1S/C19H16N4O/c1-13-16(12-14-8-4-2-5-9-14)18(24)23-19(20-13)21-17(22-23)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyJXCLYNUJRLWGDX-UHFFFAOYSA-N
XLogP2.98
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 666383
3-Methyl-2-p-tolyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazolin-9-ol
CID 656272
2-(4-Methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-ol
CID 819041
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
3-(4-fluorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 1447956
2,5-diphenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 661929
2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 666499
6-benzyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879019
2-phenethyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
CID 935179
5-Methyl-2,6-diphenyl-3-(1-piperidinyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134315422
N-(7-hydroxy-5-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3-phenylpropanamide
CID 661836

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1264955) is 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JXCLYNUJRLWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-16(12-14-8-4-2-5-9-14)18(24)23-19(20-13)21-17(22-23)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-methyl-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1264955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).