2-(2-methylanilino)acetohydrazide

C9H13N3O — CID 730478

IUPAC2-(2-methylanilino)acetohydrazide
SMILESCc1ccccc1NCC(=O)NN
InChIInChI=1S/C9H13N3O/c1-7-4-2-3-5-8(7)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
InChIKeyDRDPZHCDTYCNSA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.40
Rot. Bonds3

About 2-(2-methylanilino)acetohydrazide

2-(2-methylanilino)acetohydrazide (PubChem CID 730478) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2-methylanilino)acetohydrazide.

Molecular Properties

Compound Name2-(2-methylanilino)acetohydrazide
PubChem CID730478
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(2-methylanilino)acetohydrazide
SMILESCc1ccccc1NCC(=O)NN
InChIInChI=1S/C9H13N3O/c1-7-4-2-3-5-8(7)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13)
InChIKeyDRDPZHCDTYCNSA-UHFFFAOYSA-N
XLogP0.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.40
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

2-(2-chloroanilino)acetohydrazide;hydrochloride
CID 131089719
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
4-ethyl-1,2-dimethoxybenzene;2-(2-methylanilino)acetohydrazide;molecular hydrogen
CID 171562959
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-2-(2-methylanilino)acetamide
CID 6169328
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-2-(2-methylanilino)acetamide
CID 6169324
2-(2-methylanilino)-N-(1,3-thiazol-2-yl)acetamide
CID 125483975
N'-hydroxy-2-(2-methylanilino)ethanimidamide
CID 54379643
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
1-(3-amino-4-methylphenyl)-2-(2-methylanilino)ethanone
CID 82482003

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)acetohydrazide?
The IUPAC name of 2-(2-methylanilino)acetohydrazide (CID 730478) is 2-(2-methylanilino)acetohydrazide.
What is the SMILES notation for 2-(2-methylanilino)acetohydrazide?
The canonical SMILES for 2-(2-methylanilino)acetohydrazide is Cc1ccccc1NCC(=O)NN.
What is the InChIKey of 2-(2-methylanilino)acetohydrazide?
The InChIKey is DRDPZHCDTYCNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-4-2-3-5-8(7)11-6-9(13)12-10/h2-5,11H,6,10H2,1H3,(H,12,13).
What are the key properties of 2-(2-methylanilino)acetohydrazide?
2-(2-methylanilino)acetohydrazide has a molecular weight of 179.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)acetohydrazide is sourced from PubChem (CID 730478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).