4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide

C16H18N6O4 — CID 135452272

IUPAC4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide
SMILESCN(C)/N=N/c1ccc(C(=O)NNC(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H18N6O4/c1-21(2)20-17-13-7-3-11(4-8-13)15(23)18-19-16(24)12-5-9-14(10-6-12)22(25)26/h3-10,16,19,24H,1-2H3,(H,18,23)/b20-17+
InChIKeyOOSKLCCLAFTJRB-LVZFUZTISA-N
MW358.36 g/mol
LogP2.08
Rot. Bonds7

About 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide

4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide (PubChem CID 135452272) has the molecular formula C16H18N6O4 and a molecular weight of 358.36 g/mol. Its IUPAC name is 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide.

Molecular Properties

Compound Name4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide
PubChem CID135452272
Molecular FormulaC16H18N6O4
Molecular Weight358.36 g/mol
Exact Mass358.14
IUPAC Name4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide
SMILESCN(C)/N=N/c1ccc(C(=O)NNC(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H18N6O4/c1-21(2)20-17-13-7-3-11(4-8-13)15(23)18-19-16(24)12-5-9-14(10-6-12)22(25)26/h3-10,16,19,24H,1-2H3,(H,18,23)/b20-17+
InChIKeyOOSKLCCLAFTJRB-LVZFUZTISA-N
XLogP2.08
TPSA132.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzohydrazide
CID 4275309
4-nitro-N'-[1-[2-(4-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzohydrazide
CID 4592576
4-(dimethylamino)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]benzamide
CID 40952744
methyl N-[(4-nitrobenzoyl)amino]carbamate
CID 3756134
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N'-(2,2-dimethylpropanoyl)-4-nitrobenzohydrazide
CID 4927498
4-nitrobenzohydrazide;hydrochloride
CID 172718286
methyl 3-[2-(4-nitrobenzoyl)hydrazinyl]-3-oxopropanoate
CID 22911679
N-[1-[methyl-(4-nitrobenzoyl)amino]propan-2-yl]-4-nitrobenzamide
CID 19933575
N-(2-methylpropyl)-2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoacetamide
CID 3402771
bis(dimethylamino)phosphoryl-(4-nitrophenyl)methanol
CID 11616219
[4-(dimethylaminodiazenyl)phenyl]-[3-(3-nitrophenyl)oxiran-2-yl]methanone
CID 172965175

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide?
The IUPAC name of 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide (CID 135452272) is 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide.
What is the SMILES notation for 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide?
The canonical SMILES for 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide is CN(C)/N=N/c1ccc(C(=O)NNC(O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide?
The InChIKey is OOSKLCCLAFTJRB-LVZFUZTISA-N. The full InChI is InChI=1S/C16H18N6O4/c1-21(2)20-17-13-7-3-11(4-8-13)15(23)18-19-16(24)12-5-9-14(10-6-12)22(25)26/h3-10,16,19,24H,1-2H3,(H,18,23)/b20-17+.
What are the key properties of 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide?
4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide has a molecular weight of 358.36 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminodiazenyl)-N'-[hydroxy-(4-nitrophenyl)methyl]benzohydrazide is sourced from PubChem (CID 135452272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).