3-amino-N',N'-dimethyl-2-nitrobenzohydrazide

C9H12N4O3 — CID 83023174

IUPAC3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O3/c1-12(2)11-9(14)6-4-3-5-7(10)8(6)13(15)16/h3-5H,10H2,1-2H3,(H,11,14)
InChIKeyQEBLQJDRVWNWLO-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.38
Rot. Bonds3

About 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide

3-amino-N',N'-dimethyl-2-nitrobenzohydrazide (PubChem CID 83023174) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide.

Molecular Properties

Compound Name3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
PubChem CID83023174
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name3-amino-N',N'-dimethyl-2-nitrobenzohydrazide
SMILESCN(C)NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C9H12N4O3/c1-12(2)11-9(14)6-4-3-5-7(10)8(6)13(15)16/h3-5H,10H2,1-2H3,(H,11,14)
InChIKeyQEBLQJDRVWNWLO-UHFFFAOYSA-N
XLogP0.38
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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1-(3-amino-2-nitrophenyl)-2-bromopropan-1-one
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N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
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3-amino-N-cyclohexyl-2-nitrobenzamide
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3-amino-N-(2-methoxy-2-methylpropyl)-2-nitrobenzamide
CID 104765683
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide?
The IUPAC name of 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide (CID 83023174) is 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide.
What is the SMILES notation for 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide?
The canonical SMILES for 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide is CN(C)NC(=O)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide?
The InChIKey is QEBLQJDRVWNWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12(2)11-9(14)6-4-3-5-7(10)8(6)13(15)16/h3-5H,10H2,1-2H3,(H,11,14).
What are the key properties of 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide?
3-amino-N',N'-dimethyl-2-nitrobenzohydrazide has a molecular weight of 224.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N',N'-dimethyl-2-nitrobenzohydrazide is sourced from PubChem (CID 83023174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).