4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide

C12H18N6O3 — CID 83015290

IUPAC4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide
SMILESCN1CCN(NC(=O)c2ccc(NN)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C12H18N6O3/c1-16-4-6-17(7-5-16)15-12(19)9-2-3-10(14-13)11(8-9)18(20)21/h2-3,8,14H,4-7,13H2,1H3,(H,15,19)
InChIKeyVADVHGFXAUIVRU-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.23
Rot. Bonds4

About 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide

4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide (PubChem CID 83015290) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide
PubChem CID83015290
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide
SMILESCN1CCN(NC(=O)c2ccc(NN)c([N+](=O)[O-])c2)CC1
InChIInChI=1S/C12H18N6O3/c1-16-4-6-17(7-5-16)15-12(19)9-2-3-10(14-13)11(8-9)18(20)21/h2-3,8,14H,4-7,13H2,1H3,(H,15,19)
InChIKeyVADVHGFXAUIVRU-UHFFFAOYSA-N
XLogP-0.23
TPSA116.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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

1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
2,5-difluoro-N-(4-methylpiperazin-1-yl)-4-nitrobenzamide
CID 104699486
3-[(4-methylpiperazin-1-yl)carbamoyl]-5-nitrobenzoic acid
CID 166394149
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656
4-[(4-methylpiperazin-1-yl)carbamoyl]benzoic acid
CID 83023034
N-(cyclobutylmethyl)-4-hydrazinyl-3-nitrobenzamide
CID 62242655
[4-(cyclopropylamino)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 9314973
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
N-methyl-4-[2-(4-methylpiperazin-1-yl)propylamino]-3-nitrobenzamide
CID 133287211

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide (CID 83015290) is 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide is CN1CCN(NC(=O)c2ccc(NN)c([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
The InChIKey is VADVHGFXAUIVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-16-4-6-17(7-5-16)15-12(19)9-2-3-10(14-13)11(8-9)18(20)21/h2-3,8,14H,4-7,13H2,1H3,(H,15,19).
What are the key properties of 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide?
4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide has a molecular weight of 294.31 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methylpiperazin-1-yl)-3-nitrobenzamide is sourced from PubChem (CID 83015290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).