3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one

C11H12N4O2 — CID 112708403

IUPAC3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
SMILESCOc1cccc(-n2ccnc(NN)c2=O)c1
InChIInChI=1S/C11H12N4O2/c1-17-9-4-2-3-8(7-9)15-6-5-13-10(14-12)11(15)16/h2-7H,12H2,1H3,(H,13,14)
InChIKeyPWRPAJYQJSUMIV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.53
Rot. Bonds3

About 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one

3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one (PubChem CID 112708403) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
PubChem CID112708403
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
SMILESCOc1cccc(-n2ccnc(NN)c2=O)c1
InChIInChI=1S/C11H12N4O2/c1-17-9-4-2-3-8(7-9)15-6-5-13-10(14-12)11(15)16/h2-7H,12H2,1H3,(H,13,14)
InChIKeyPWRPAJYQJSUMIV-UHFFFAOYSA-N
XLogP0.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
CID 112708450
1-(3-methoxyphenyl)-N-phenylimidazol-2-amine
CID 106559903
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
1-(3-chloro-4-fluorophenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 46337513
[1-(3-methoxyphenyl)imidazol-2-yl]methanol
CID 119091305
1-(3-methoxyphenyl)-3-[(3-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 20942000
N-benzyl-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941994
2-imidazol-1-yl-1-(3-methoxyphenyl)imidazole
CID 69342185
1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118349
N-(3,4-dimethylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 50790472
N-(3-methoxyphenyl)-2-[4-(3-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 8721436

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one (CID 112708403) is 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one is COc1cccc(-n2ccnc(NN)c2=O)c1.
What is the InChIKey of 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one?
The InChIKey is PWRPAJYQJSUMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-9-4-2-3-8(7-9)15-6-5-13-10(14-12)11(15)16/h2-7H,12H2,1H3,(H,13,14).
What are the key properties of 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one?
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one has a molecular weight of 232.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 112708403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).