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

C12H10N4O — CID 666383

IUPAC2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C12H10N4O/c1-8-13-12-14-10(7-11(17)16(12)15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)
InChIKeyYKDLBIFFWPSAIV-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds1

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

2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 666383) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID666383
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C12H10N4O/c1-8-13-12-14-10(7-11(17)16(12)15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)
InChIKeyYKDLBIFFWPSAIV-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

5-Phenyl-s-triazolo(1,5-a)pyrimidin-7-ol
CID 202792
2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
2-(4-Fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1232838
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 2857627
2-(4-Iodo-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 632552
2-Methylsulfanyl-5-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 2033843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 666383) is 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YKDLBIFFWPSAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-13-12-14-10(7-11(17)16(12)15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15).
What are the key properties of 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 666383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).