2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one

C18H16N4O — CID 569719

IUPAC2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one
SMILESCC(c1ccccc1)N1Cc2nc(-c3ccccc3)nn2C1=O
InChIInChI=1S/C18H16N4O/c1-13(14-8-4-2-5-9-14)21-12-16-19-17(20-22(16)18(21)23)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyJCQPLBDBTJMKJW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.49
Rot. Bonds3

About 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one

2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one (PubChem CID 569719) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one.

Molecular Properties

Compound Name2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one
PubChem CID569719
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one
SMILESCC(c1ccccc1)N1Cc2nc(-c3ccccc3)nn2C1=O
InChIInChI=1S/C18H16N4O/c1-13(14-8-4-2-5-9-14)21-12-16-19-17(20-22(16)18(21)23)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyJCQPLBDBTJMKJW-UHFFFAOYSA-N
XLogP3.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-benzyl-2-phenyl-6-(1-phenylethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-c][1,3]diazepin-5-one
CID 571437
6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92974392
6-[(1R)-1-phenylethyl]-6-azaspiro[3.4]octane-5,8-dione
CID 10681694
4-fluoro-3-methyl-1-[(1S)-1-phenylethyl]-2H-pyrrol-5-one
CID 142135206
3,4-dimethyl-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 20820546
3-(1-aminoethyl)-1-(1-phenylethyl)-2H-pyrrol-5-one
CID 123767911
1-[(1R)-1-phenylethyl]-3-[(1S)-1-phenylethyl]-2H-benzimidazole
CID 91030651
3-[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 166233895
7-hydroxyimino-5-[(1S)-1-phenylethyl]-5-azaspiro[2.4]heptan-4-one
CID 160687276
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
(4E)-4-hydroxyimino-3,3-dimethyl-1-(1-phenylethyl)pyrrolidin-2-one
CID 19354256
(6S)-6-methyl-4-[(1S)-1-phenylethyl]morpholine-2,5-dione
CID 10955462

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one?
The IUPAC name of 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one (CID 569719) is 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one.
What is the SMILES notation for 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one?
The canonical SMILES for 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one is CC(c1ccccc1)N1Cc2nc(-c3ccccc3)nn2C1=O.
What is the InChIKey of 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one?
The InChIKey is JCQPLBDBTJMKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13(14-8-4-2-5-9-14)21-12-16-19-17(20-22(16)18(21)23)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one?
2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one has a molecular weight of 304.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(1-phenylethyl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one is sourced from PubChem (CID 569719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).