2-methanimidoyl-6-methylbenzohydrazide

C9H11N3O — CID 23023809

IUPAC2-methanimidoyl-6-methylbenzohydrazide
SMILES[H]/N=C/c1cccc(C)c1C(=O)NN
InChIInChI=1S/C9H11N3O/c1-6-3-2-4-7(5-10)8(6)9(13)12-11/h2-5,10H,11H2,1H3,(H,12,13)/b10-5+
InChIKeyYELUNKVESZFJSN-BJMVGYQFSA-N
MW177.21 g/mol
LogP0.60
Rot. Bonds2

About 2-methanimidoyl-6-methylbenzohydrazide

2-methanimidoyl-6-methylbenzohydrazide (PubChem CID 23023809) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-methanimidoyl-6-methylbenzohydrazide.

Molecular Properties

Compound Name2-methanimidoyl-6-methylbenzohydrazide
PubChem CID23023809
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-methanimidoyl-6-methylbenzohydrazide
SMILES[H]/N=C/c1cccc(C)c1C(=O)NN
InChIInChI=1S/C9H11N3O/c1-6-3-2-4-7(5-10)8(6)9(13)12-11/h2-5,10H,11H2,1H3,(H,12,13)/b10-5+
InChIKeyYELUNKVESZFJSN-BJMVGYQFSA-N
XLogP0.60
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.60
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methanimidoyl-6-methylbenzohydrazide 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

2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
1-(2,6-dimethylphenyl)-2-iminoethanone
CID 123933516
2,6-dimethoxybenzohydrazide
CID 2806104
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
2,3-dimethylbenzohydrazide
CID 16790549
2-methanimidoylbenzamide
CID 123272130
(7-methyl-1H-indol-3-yl)methanimine
CID 143450197
(Z)-1-(2,6-dimethylphenyl)-3-iminoprop-1-en-1-amine
CID 163243515
2,6-dimethylbenzenecarbothioic S-acid
CID 91881639
2,6-dimethylbenzenecarboximidamide
CID 5047790
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-6-methylbenzohydrazide?
The IUPAC name of 2-methanimidoyl-6-methylbenzohydrazide (CID 23023809) is 2-methanimidoyl-6-methylbenzohydrazide.
What is the SMILES notation for 2-methanimidoyl-6-methylbenzohydrazide?
The canonical SMILES for 2-methanimidoyl-6-methylbenzohydrazide is [H]/N=C/c1cccc(C)c1C(=O)NN.
What is the InChIKey of 2-methanimidoyl-6-methylbenzohydrazide?
The InChIKey is YELUNKVESZFJSN-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-3-2-4-7(5-10)8(6)9(13)12-11/h2-5,10H,11H2,1H3,(H,12,13)/b10-5+.
What are the key properties of 2-methanimidoyl-6-methylbenzohydrazide?
2-methanimidoyl-6-methylbenzohydrazide has a molecular weight of 177.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-6-methylbenzohydrazide is sourced from PubChem (CID 23023809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).