8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

C12H10N4O — CID 136815157

IUPAC8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1c[nH]c(=O)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C12H10N4O/c1-8-7-13-12(17)16-11(8)14-10(15-16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyLSWMXHMFCXLWHN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds1

About 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one

8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (PubChem CID 136815157) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
PubChem CID136815157
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
SMILESCc1c[nH]c(=O)n2nc(-c3ccccc3)nc12
InChIInChI=1S/C12H10N4O/c1-8-7-13-12(17)16-11(8)14-10(15-16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyLSWMXHMFCXLWHN-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
CID 135545328
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
5,6,7-trimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2337721
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565759
8-phenyl-1H-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 135597547
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4094129
5-bromo-7-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 165473676
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
4-(3-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,11-tetraen-7-one
CID 136859539
2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 136817201

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The IUPAC name of 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one (CID 136815157) is 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one.
What is the SMILES notation for 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The canonical SMILES for 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is Cc1c[nH]c(=O)n2nc(-c3ccccc3)nc12.
What is the InChIKey of 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
The InChIKey is LSWMXHMFCXLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-7-13-12(17)16-11(8)14-10(15-16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17).
What are the key properties of 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one?
8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one has a molecular weight of 226.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one is sourced from PubChem (CID 136815157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).