8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one

C12H10N4O — CID 135545328

IUPAC8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
SMILESCc1c[nH]c(=O)n2c(-c3ccccc3)nnc12
InChIInChI=1S/C12H10N4O/c1-8-7-13-12(17)16-10(8)14-15-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyCQELHFXOPOMYPN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds1

About 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one

8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one (PubChem CID 135545328) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
PubChem CID135545328
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one
SMILESCc1c[nH]c(=O)n2c(-c3ccccc3)nnc12
InChIInChI=1S/C12H10N4O/c1-8-7-13-12(17)16-10(8)14-15-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyCQELHFXOPOMYPN-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

3-phenyl-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135518105
8-methyl-2-phenyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
CID 136815157
5,8-dimethyl-3-phenyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 614138
2,3-diiodo-8-phenyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 136817201
3-(4-chlorophenyl)-6H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 135577952
5,8-diphenyl-3,4,6,7,9,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2,4,8,10,12,14-heptaene
CID 71482704
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453
8-methoxy-5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 70501466
3-methyl-5-phenyl-1H-pyrimidine-2,4-dione
CID 4204619
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
5-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 14666362
3-phenyl-6H-[1,2,4]triazolo[4,3-d][1,2,4]triazine-5-thione
CID 121215591

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one?
The IUPAC name of 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one (CID 135545328) is 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one.
What is the SMILES notation for 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one?
The canonical SMILES for 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one is Cc1c[nH]c(=O)n2c(-c3ccccc3)nnc12.
What is the InChIKey of 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one?
The InChIKey is CQELHFXOPOMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-7-13-12(17)16-10(8)14-15-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17).
What are the key properties of 8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one?
8-methyl-3-phenyl-6H-[1,2,4]triazolo[4,3-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-3-phenyl-6H-[1,2,4]triazolo[4,3-c]pyrimidin-5-one is sourced from PubChem (CID 135545328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).