4-hydrazinyl-3-methoxybenzonitrile

C8H9N3O — CID 53404328

IUPAC4-hydrazinyl-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NN
InChIInChI=1S/C8H9N3O/c1-12-8-4-6(5-9)2-3-7(8)11-10/h2-4,11H,10H2,1H3
InChIKeyHCUAEEYSPHTMBJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.85
Rot. Bonds2

About 4-hydrazinyl-3-methoxybenzonitrile

4-hydrazinyl-3-methoxybenzonitrile (PubChem CID 53404328) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 4-hydrazinyl-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-hydrazinyl-3-methoxybenzonitrile
PubChem CID53404328
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name4-hydrazinyl-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NN
InChIInChI=1S/C8H9N3O/c1-12-8-4-6(5-9)2-3-7(8)11-10/h2-4,11H,10H2,1H3
InChIKeyHCUAEEYSPHTMBJ-UHFFFAOYSA-N
XLogP0.85
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327
ethane;3-methoxy-4-(methylamino)benzonitrile
CID 176701430
4-(4-aminoanilino)-3-methoxybenzonitrile
CID 104847876
N-(4-cyano-2-methoxyphenyl)sulfamoyl chloride
CID 18766652
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721
3-methoxy-4-(3-methylbutan-2-ylamino)benzonitrile
CID 104848054
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
4-(2-amino-4-methylanilino)-3-methoxybenzonitrile
CID 104847906
4-(3,4-diaminoanilino)-3-methoxybenzonitrile
CID 106751142
4-(4-amino-2,6-difluoroanilino)-3-methoxybenzonitrile
CID 104847878
2-(4-cyano-2-methoxyanilino)ethanesulfonamide
CID 114385179
4-(cyclobutylmethylamino)-3-methoxybenzonitrile
CID 104843580

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-methoxybenzonitrile?
The IUPAC name of 4-hydrazinyl-3-methoxybenzonitrile (CID 53404328) is 4-hydrazinyl-3-methoxybenzonitrile.
What is the SMILES notation for 4-hydrazinyl-3-methoxybenzonitrile?
The canonical SMILES for 4-hydrazinyl-3-methoxybenzonitrile is COc1cc(C#N)ccc1NN.
What is the InChIKey of 4-hydrazinyl-3-methoxybenzonitrile?
The InChIKey is HCUAEEYSPHTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-8-4-6(5-9)2-3-7(8)11-10/h2-4,11H,10H2,1H3.
What are the key properties of 4-hydrazinyl-3-methoxybenzonitrile?
4-hydrazinyl-3-methoxybenzonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-methoxybenzonitrile is sourced from PubChem (CID 53404328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).