N'-(3-cyanophenyl)acetohydrazide

C9H9N3O — CID 131038876

IUPACN'-(3-cyanophenyl)acetohydrazide
SMILESCC(=O)NNc1cccc(C#N)c1
InChIInChI=1S/C9H9N3O/c1-7(13)11-12-9-4-2-3-8(5-9)6-10/h2-5,12H,1H3,(H,11,13)
InChIKeyVZJOXNIHHDHXGU-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.02
Rot. Bonds2

About N'-(3-cyanophenyl)acetohydrazide

N'-(3-cyanophenyl)acetohydrazide (PubChem CID 131038876) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N'-(3-cyanophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)acetohydrazide
PubChem CID131038876
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN'-(3-cyanophenyl)acetohydrazide
SMILESCC(=O)NNc1cccc(C#N)c1
InChIInChI=1S/C9H9N3O/c1-7(13)11-12-9-4-2-3-8(5-9)6-10/h2-5,12H,1H3,(H,11,13)
InChIKeyVZJOXNIHHDHXGU-UHFFFAOYSA-N
XLogP1.02
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-cyanophenyl)acetohydrazide 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

1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988
(Z)-4-(3-cyanoanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63267169
1-(3-cyanoanilino)-3-[2-(trifluoromethyl)phenyl]urea
CID 60609345
5-acetamido-N-(3-cyanophenyl)furan-2-carboxamide
CID 110700002
3-[2-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]hydrazinyl]benzonitrile
CID 88569174
3-(ethylamino)benzonitrile;3-oxobutanoic acid
CID 174667685
1-(3-cyanophenyl)-3-(3-oxobutan-2-yl)urea
CID 64993876
N-(3-cyanophenyl)but-2-enamide
CID 72539251
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)acetohydrazide?
The IUPAC name of N'-(3-cyanophenyl)acetohydrazide (CID 131038876) is N'-(3-cyanophenyl)acetohydrazide.
What is the SMILES notation for N'-(3-cyanophenyl)acetohydrazide?
The canonical SMILES for N'-(3-cyanophenyl)acetohydrazide is CC(=O)NNc1cccc(C#N)c1.
What is the InChIKey of N'-(3-cyanophenyl)acetohydrazide?
The InChIKey is VZJOXNIHHDHXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-7(13)11-12-9-4-2-3-8(5-9)6-10/h2-5,12H,1H3,(H,11,13).
What are the key properties of N'-(3-cyanophenyl)acetohydrazide?
N'-(3-cyanophenyl)acetohydrazide has a molecular weight of 175.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)acetohydrazide is sourced from PubChem (CID 131038876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).