2-amino-4-nitrobenzohydrazide

C7H8N4O3 — CID 3575645

IUPAC2-amino-4-nitrobenzohydrazide
SMILESNNC(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C7H8N4O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,8-9H2,(H,10,12)
InChIKeyWSMZWCHQWJBLIP-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.22
Rot. Bonds2

About 2-amino-4-nitrobenzohydrazide

2-amino-4-nitrobenzohydrazide (PubChem CID 3575645) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-amino-4-nitrobenzohydrazide.

Molecular Properties

Compound Name2-amino-4-nitrobenzohydrazide
PubChem CID3575645
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-amino-4-nitrobenzohydrazide
SMILESNNC(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C7H8N4O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,8-9H2,(H,10,12)
InChIKeyWSMZWCHQWJBLIP-UHFFFAOYSA-N
XLogP-0.22
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
CID 139822137
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-amino-N-[(3,4-difluorophenyl)methyl]-4-nitrobenzamide
CID 68813120
2-amino-N-(benzylcarbamothioyl)-4-nitrobenzamide
CID 139228065
[(2-amino-4-nitrophenyl)-carboxymethylidene]-methylazanium
CID 145476793
1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone
CID 175319505
2-hydrazinyl-5-nitroaniline
CID 130769325
4-nitrobenzohydrazide;hydrochloride
CID 172718286
2-amino-N-(morpholine-4-carbothioyl)-4-nitrobenzamide
CID 139228066
2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide
CID 145125005
(2-anilino-2-oxoethyl) 2-amino-4-nitrobenzoate
CID 7149074

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitrobenzohydrazide?
The IUPAC name of 2-amino-4-nitrobenzohydrazide (CID 3575645) is 2-amino-4-nitrobenzohydrazide.
What is the SMILES notation for 2-amino-4-nitrobenzohydrazide?
The canonical SMILES for 2-amino-4-nitrobenzohydrazide is NNC(=O)c1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-amino-4-nitrobenzohydrazide?
The InChIKey is WSMZWCHQWJBLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-6-3-4(11(13)14)1-2-5(6)7(12)10-9/h1-3H,8-9H2,(H,10,12).
What are the key properties of 2-amino-4-nitrobenzohydrazide?
2-amino-4-nitrobenzohydrazide has a molecular weight of 196.17 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitrobenzohydrazide is sourced from PubChem (CID 3575645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).