7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one

C18H16N6O — CID 137235268

IUPAC7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one
SMILESO=c1[nH]c(NNc2ccccc2)nc2ncn(Cc3ccccc3)c12
InChIInChI=1S/C18H16N6O/c25-17-15-16(19-12-24(15)11-13-7-3-1-4-8-13)20-18(21-17)23-22-14-9-5-2-6-10-14/h1-10,12,22H,11H2,(H2,20,21,23,25)
InChIKeyKUOPJAOMVGUXAN-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.61
Rot. Bonds5

About 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one

7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one (PubChem CID 137235268) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one.

Molecular Properties

Compound Name7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one
PubChem CID137235268
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one
SMILESO=c1[nH]c(NNc2ccccc2)nc2ncn(Cc3ccccc3)c12
InChIInChI=1S/C18H16N6O/c25-17-15-16(19-12-24(15)11-13-7-3-1-4-8-13)20-18(21-17)23-22-14-9-5-2-6-10-14/h1-10,12,22H,11H2,(H2,20,21,23,25)
InChIKeyKUOPJAOMVGUXAN-UHFFFAOYSA-N
XLogP2.61
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-benzyl-6-oxo-1H-purin-2-yl)acetamide
CID 135471186
7-benzyl-2-(2,2-dimethylpropyl)-1H-purin-6-one
CID 135708928
1-benzyl-6-(4-chloroanilino)-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 29212794
1-(7-benzyl-6-oxo-1H-purin-2-yl)pyrazole-4-carboxylic acid
CID 156762446
2-amino-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135405774
2-(3-chlorophenyl)-7-[(3-chlorophenyl)methyl]-1H-purin-6-one
CID 135709102
2-(3-aminophenyl)-7-(2-phenylethyl)-1H-purin-6-one
CID 135708870
2-amino-7-[(4-methoxyphenyl)methyl]-1H-purin-6-one;dihydrochloride
CID 135845144
2-(2-aminoethyl)-7-[(4-fluorophenyl)methyl]-1H-purin-6-one
CID 135709068
7-benzyl-2-chloro-1-ethylpurin-6-one
CID 23403639
2-(3-aminophenyl)-7-(3-phenylpropyl)-1H-purin-6-one
CID 135708933
7-[(2-fluorophenyl)methyl]-2-(methylaminomethyl)-1H-purin-6-one
CID 135708892

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one?
The IUPAC name of 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one (CID 137235268) is 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one.
What is the SMILES notation for 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one?
The canonical SMILES for 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one is O=c1[nH]c(NNc2ccccc2)nc2ncn(Cc3ccccc3)c12.
What is the InChIKey of 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one?
The InChIKey is KUOPJAOMVGUXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-17-15-16(19-12-24(15)11-13-7-3-1-4-8-13)20-18(21-17)23-22-14-9-5-2-6-10-14/h1-10,12,22H,11H2,(H2,20,21,23,25).
What are the key properties of 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one?
7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one has a molecular weight of 332.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2-(2-phenylhydrazinyl)-1H-purin-6-one is sourced from PubChem (CID 137235268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).