2-amino-N'-(2-cyanoacetyl)benzohydrazide

C10H10N4O2 — CID 130018027

IUPAC2-amino-N'-(2-cyanoacetyl)benzohydrazide
SMILESN#CCC(=O)NNC(=O)c1ccccc1N
InChIInChI=1S/C10H10N4O2/c11-6-5-9(15)13-14-10(16)7-3-1-2-4-8(7)12/h1-4H,5,12H2,(H,13,15)(H,14,16)
InChIKeyZHTKWHDHLAYXJO-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.06
Rot. Bonds2

About 2-amino-N'-(2-cyanoacetyl)benzohydrazide

2-amino-N'-(2-cyanoacetyl)benzohydrazide (PubChem CID 130018027) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-amino-N'-(2-cyanoacetyl)benzohydrazide.

Molecular Properties

Compound Name2-amino-N'-(2-cyanoacetyl)benzohydrazide
PubChem CID130018027
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-amino-N'-(2-cyanoacetyl)benzohydrazide
SMILESN#CCC(=O)NNC(=O)c1ccccc1N
InChIInChI=1S/C10H10N4O2/c11-6-5-9(15)13-14-10(16)7-3-1-2-4-8(7)12/h1-4H,5,12H2,(H,13,15)(H,14,16)
InChIKeyZHTKWHDHLAYXJO-UHFFFAOYSA-N
XLogP-0.06
TPSA108.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N'-(2-cyanoacetyl)benzohydrazide 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

3-(2-aminophenyl)-3-oxopropanenitrile
CID 15723623
2-cyano-N-[2-[(phenylcarbamoylamino)carbamoyl]phenyl]acetamide
CID 168523939
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
CID 101455065
1-(2-aminophenyl)but-3-yn-1-one
CID 64831983
1-[(2-cyanoacetyl)amino]-3-(2,6-diethylphenyl)urea
CID 14198984
2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
CID 139171185
N'-(2-cyanoacetyl)-3-methoxybenzohydrazide
CID 3117668
2-amino-N'-methylsulfonylbenzohydrazide
CID 54331662
1-N',3-N'-bis(2-hydroxybenzoyl)propanedihydrazide
CID 21348404
1-[(2-cyanoacetyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 3539106
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984
N-[[(2-aminobenzoyl)amino]carbamothioyl]cyclopentanecarboxamide
CID 136575719

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(2-cyanoacetyl)benzohydrazide?
The IUPAC name of 2-amino-N'-(2-cyanoacetyl)benzohydrazide (CID 130018027) is 2-amino-N'-(2-cyanoacetyl)benzohydrazide.
What is the SMILES notation for 2-amino-N'-(2-cyanoacetyl)benzohydrazide?
The canonical SMILES for 2-amino-N'-(2-cyanoacetyl)benzohydrazide is N#CCC(=O)NNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N'-(2-cyanoacetyl)benzohydrazide?
The InChIKey is ZHTKWHDHLAYXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-6-5-9(15)13-14-10(16)7-3-1-2-4-8(7)12/h1-4H,5,12H2,(H,13,15)(H,14,16).
What are the key properties of 2-amino-N'-(2-cyanoacetyl)benzohydrazide?
2-amino-N'-(2-cyanoacetyl)benzohydrazide has a molecular weight of 218.22 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(2-cyanoacetyl)benzohydrazide is sourced from PubChem (CID 130018027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).