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

C12H11N5O — CID 104846075

IUPAC2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2ccccc2)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C12H11N5O/c1-7-9(8-5-3-2-4-6-8)14-12-15-11(13)16-17(12)10(7)18/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyWMCUUHFHRSMGDD-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.98
Rot. Bonds1

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

2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 104846075) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID104846075
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2ccccc2)nc2nc(N)[nH]n2c1=O
InChIInChI=1S/C12H11N5O/c1-7-9(8-5-3-2-4-6-8)14-12-15-11(13)16-17(12)10(7)18/h2-6H,1H3,(H3,13,14,15,16)
InChIKeyWMCUUHFHRSMGDD-UHFFFAOYSA-N
XLogP0.98
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514282
2-amino-6-benzyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 620433
2-amino-5-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 47772487
2-amino-6-benzyl-5-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 155534565
2-tert-butyl-5-methyl-6-phenylpyrimidin-4-amine
CID 80975412
3,5,6-trimethyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761039
2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 64852966
2-(5-methyl-7-oxo-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 53214297
2-amino-6-methoxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130560782
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
6-(2-aminoethyl)-5-methyl-4-phenyl-1H-pyrimidin-2-one
CID 83850270

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 104846075) is 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2ccccc2)nc2nc(N)[nH]n2c1=O.
What is the InChIKey of 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WMCUUHFHRSMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-7-9(8-5-3-2-4-6-8)14-12-15-11(13)16-17(12)10(7)18/h2-6H,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 241.25 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 104846075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).