3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide

C10H11N7O3 — CID 115549707

IUPAC3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
SMILESCn1ncnc1NC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N7O3/c1-16-10(12-5-13-16)14-9(18)6-3-2-4-7(15-11)8(6)17(19)20/h2-5,15H,11H2,1H3,(H,12,13,14,18)
InChIKeyCRZAGFUJHSADQO-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.26
Rot. Bonds4

About 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide

3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide (PubChem CID 115549707) has the molecular formula C10H11N7O3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
PubChem CID115549707
Molecular FormulaC10H11N7O3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
SMILESCn1ncnc1NC(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N7O3/c1-16-10(12-5-13-16)14-9(18)6-3-2-4-7(15-11)8(6)17(19)20/h2-5,15H,11H2,1H3,(H,12,13,14,18)
InChIKeyCRZAGFUJHSADQO-UHFFFAOYSA-N
XLogP0.26
TPSA141.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

3-(ethylamino)-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549338
3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
3-amino-2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 112576091
3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 113333579
3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 113333612
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
N-butan-2-yl-3-hydrazinyl-2-nitrobenzamide
CID 115549428
2,5-difluoro-N-(2-methyl-1,2,4-triazol-3-yl)-3-nitrobenzamide
CID 107122204
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide?
The IUPAC name of 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide (CID 115549707) is 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide?
The canonical SMILES for 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide is Cn1ncnc1NC(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide?
The InChIKey is CRZAGFUJHSADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O3/c1-16-10(12-5-13-16)14-9(18)6-3-2-4-7(15-11)8(6)17(19)20/h2-5,15H,11H2,1H3,(H,12,13,14,18).
What are the key properties of 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide?
3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide has a molecular weight of 277.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 115549707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).