2-amino-6-methylbenzohydrazide;ethane

C12H23N3O — CID 145125009

IUPAC2-amino-6-methylbenzohydrazide;ethane
SMILESCC.CC.Cc1cccc(N)c1C(=O)NN
InChIInChI=1S/C8H11N3O.2C2H6/c1-5-3-2-4-6(9)7(5)8(12)11-10;2*1-2/h2-4H,9-10H2,1H3,(H,11,12);2*1-2H3
InChIKeyWEUYHNKSFXFDIX-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.23
Rot. Bonds1

About 2-amino-6-methylbenzohydrazide;ethane

2-amino-6-methylbenzohydrazide;ethane (PubChem CID 145125009) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-6-methylbenzohydrazide;ethane.

Molecular Properties

Compound Name2-amino-6-methylbenzohydrazide;ethane
PubChem CID145125009
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-6-methylbenzohydrazide;ethane
SMILESCC.CC.Cc1cccc(N)c1C(=O)NN
InChIInChI=1S/C8H11N3O.2C2H6/c1-5-3-2-4-6(9)7(5)8(12)11-10;2*1-2/h2-4H,9-10H2,1H3,(H,11,12);2*1-2H3
InChIKeyWEUYHNKSFXFDIX-UHFFFAOYSA-N
XLogP2.23
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-amino-6-chlorobenzohydrazide;ethane
CID 145125015
2,6-dimethylbenzohydrazide;2,6-dimethylbenzoic acid
CID 161062833
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
2-amino-N-(4-hydroxy-3-methylbutan-2-yl)-6-methylbenzamide
CID 113484642
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
2-amino-N-[(4-bromophenyl)methyl]-6-methylbenzamide
CID 16781523
2-amino-6-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 63980673

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylbenzohydrazide;ethane?
The IUPAC name of 2-amino-6-methylbenzohydrazide;ethane (CID 145125009) is 2-amino-6-methylbenzohydrazide;ethane.
What is the SMILES notation for 2-amino-6-methylbenzohydrazide;ethane?
The canonical SMILES for 2-amino-6-methylbenzohydrazide;ethane is CC.CC.Cc1cccc(N)c1C(=O)NN.
What is the InChIKey of 2-amino-6-methylbenzohydrazide;ethane?
The InChIKey is WEUYHNKSFXFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.2C2H6/c1-5-3-2-4-6(9)7(5)8(12)11-10;2*1-2/h2-4H,9-10H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of 2-amino-6-methylbenzohydrazide;ethane?
2-amino-6-methylbenzohydrazide;ethane has a molecular weight of 225.34 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylbenzohydrazide;ethane is sourced from PubChem (CID 145125009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).