2-(benzylamino)acetohydrazide

C9H13N3O — CID 15118563

IUPAC2-(benzylamino)acetohydrazide
SMILESNNC(=O)CNCc1ccccc1
InChIInChI=1S/C9H13N3O/c10-12-9(13)7-11-6-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H,12,13)
InChIKeyKPQSMDJOSNHHPR-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.23
Rot. Bonds4

About 2-(benzylamino)acetohydrazide

2-(benzylamino)acetohydrazide (PubChem CID 15118563) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(benzylamino)acetohydrazide.

Molecular Properties

Compound Name2-(benzylamino)acetohydrazide
PubChem CID15118563
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(benzylamino)acetohydrazide
SMILESNNC(=O)CNCc1ccccc1
InChIInChI=1S/C9H13N3O/c10-12-9(13)7-11-6-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H,12,13)
InChIKeyKPQSMDJOSNHHPR-UHFFFAOYSA-N
XLogP-0.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(benzylamino)butan-2-one
CID 83967308
2-[(4-hydroxyphenyl)methylamino]-N-phenylacetamide
CID 115584767
2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
N-benzyl-2-hydrazinylacetamide
CID 15514349
1-(benzylamino)-3-chloropropan-2-one
CID 91104942
2-(benzylamino)-N-(4-iodophenyl)acetamide
CID 2824675
5-(benzylamino)-4-oxopentanoic acid
CID 141297072
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
2-(benzylamino)-N-(2-ethylphenyl)acetamide
CID 766717
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)acetohydrazide?
The IUPAC name of 2-(benzylamino)acetohydrazide (CID 15118563) is 2-(benzylamino)acetohydrazide.
What is the SMILES notation for 2-(benzylamino)acetohydrazide?
The canonical SMILES for 2-(benzylamino)acetohydrazide is NNC(=O)CNCc1ccccc1.
What is the InChIKey of 2-(benzylamino)acetohydrazide?
The InChIKey is KPQSMDJOSNHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-12-9(13)7-11-6-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H,12,13).
What are the key properties of 2-(benzylamino)acetohydrazide?
2-(benzylamino)acetohydrazide has a molecular weight of 179.22 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)acetohydrazide is sourced from PubChem (CID 15118563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).