6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one

C12H9FN6O — CID 67597358

IUPAC6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one
SMILESO=c1nc2nc[nH]c2c(NN=Cc2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H9FN6O/c13-8-3-1-7(2-4-8)5-16-19-11-9-10(15-6-14-9)17-12(20)18-11/h1-6H,(H3,14,15,17,18,19,20)
InChIKeyHCYPYNYILFWXHG-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.23
Rot. Bonds3

About 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one

6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one (PubChem CID 67597358) has the molecular formula C12H9FN6O and a molecular weight of 272.24 g/mol. Its IUPAC name is 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one.

Molecular Properties

Compound Name6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one
PubChem CID67597358
Molecular FormulaC12H9FN6O
Molecular Weight272.24 g/mol
Exact Mass272.08
IUPAC Name6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one
SMILESO=c1nc2nc[nH]c2c(NN=Cc2ccc(F)cc2)[nH]1
InChIInChI=1S/C12H9FN6O/c13-8-3-1-7(2-4-8)5-16-19-11-9-10(15-6-14-9)17-12(20)18-11/h1-6H,(H3,14,15,17,18,19,20)
InChIKeyHCYPYNYILFWXHG-UHFFFAOYSA-N
XLogP1.23
TPSA98.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 135471527
4-[(2E)-2-benzylidenehydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 137642798
4-[(2E)-2-[(4-methylphenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 137642939
2-(N'-(4-Fluoro-benzylidene)-hydrazino)-6-methyl-pyrimidin-4-OL
CID 135454399
2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135406276
2-[(2Z)-2-[(2-Fluorophenyl)methylidene]hydrazin-1-YL]-6-methyl-3,4-dihydropyrimidin-4-one
CID 135454328
2-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-4(3H)-one
CID 135636426
6-[2-[(4-Fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurine-2-thione
CID 88309042
4-[2-[(4-Fluorophenyl)methylidene]hydrazinyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 139797849
N-[(E)-(2-fluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 140896152
N-[(E)-(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 140896154
Hydroxybenzaladenine
CID 129689203

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one?
The IUPAC name of 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one (CID 67597358) is 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one.
What is the SMILES notation for 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one?
The canonical SMILES for 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one is O=c1nc2nc[nH]c2c(NN=Cc2ccc(F)cc2)[nH]1.
What is the InChIKey of 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one?
The InChIKey is HCYPYNYILFWXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6O/c13-8-3-1-7(2-4-8)5-16-19-11-9-10(15-6-14-9)17-12(20)18-11/h1-6H,(H3,14,15,17,18,19,20).
What are the key properties of 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one?
6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one has a molecular weight of 272.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-1,7-dihydropurin-2-one is sourced from PubChem (CID 67597358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).