5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C10H11N7O3 — CID 64525183

IUPAC5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C10H11N7O3/c11-15-6-1-2-8(17(19)20)7(3-6)10(18)12-4-9-13-5-14-16-9/h1-3,5,15H,4,11H2,(H,12,18)(H,13,14,16)
InChIKeyQJMZPRWTDQJCJL-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.07
Rot. Bonds5

About 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64525183) has the molecular formula C10H11N7O3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64525183
Molecular FormulaC10H11N7O3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C10H11N7O3/c11-15-6-1-2-8(17(19)20)7(3-6)10(18)12-4-9-13-5-14-16-9/h1-3,5,15H,4,11H2,(H,12,18)(H,13,14,16)
InChIKeyQJMZPRWTDQJCJL-UHFFFAOYSA-N
XLogP-0.07
TPSA151.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
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

5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
3-amino-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 115549169
5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 104642847
5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 54883391
N-(1H-imidazol-2-ylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 64525572
5-hydrazinyl-2-nitro-N-pentylbenzamide
CID 55052453
2-methyl-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883775
5-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2-nitrobenzamide
CID 65236539
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
5-hydrazinyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 62243608
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 81414361

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64525183) is 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is NNc1ccc([N+](=O)[O-])c(C(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is QJMZPRWTDQJCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O3/c11-15-6-1-2-8(17(19)20)7(3-6)10(18)12-4-9-13-5-14-16-9/h1-3,5,15H,4,11H2,(H,12,18)(H,13,14,16).
What are the key properties of 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64525183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).