2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide

C8H7N7O3S — CID 114914479

IUPAC2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
SMILESNNc1c(C(=O)Nc2nnns2)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H7N7O3S/c9-11-6-4(2-1-3-5(6)15(17)18)7(16)10-8-12-13-14-19-8/h1-3,11H,9H2,(H,10,12,14,16)
InChIKeyAHJOCKCPMDVILL-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.38
Rot. Bonds4

About 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide

2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide (PubChem CID 114914479) has the molecular formula C8H7N7O3S and a molecular weight of 281.26 g/mol. Its IUPAC name is 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
PubChem CID114914479
Molecular FormulaC8H7N7O3S
Molecular Weight281.26 g/mol
Exact Mass281.03
IUPAC Name2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
SMILESNNc1c(C(=O)Nc2nnns2)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H7N7O3S/c9-11-6-4(2-1-3-5(6)15(17)18)7(16)10-8-12-13-14-19-8/h1-3,11H,9H2,(H,10,12,14,16)
InChIKeyAHJOCKCPMDVILL-UHFFFAOYSA-N
XLogP0.38
TPSA148.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

2-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 115937021
2-hydrazinyl-3-nitro-N-pyridin-2-ylbenzamide
CID 115937008
2-hydrazinyl-N-(1-methylpyrazol-3-yl)-3-nitrobenzamide
CID 113355013
N-(5-bromopyrazin-2-yl)-2-hydrazinyl-3-nitrobenzamide
CID 115937226
2-hydrazinyl-N-(1H-imidazol-2-yl)-3-nitrobenzamide
CID 112580702
5-amino-4-fluoro-2-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914404
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
3-fluoro-2-(methylamino)-N-(thiatriazol-5-yl)benzamide
CID 114914408
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methylamino)-3-nitrobenzamide
CID 104773220
4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099
2-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzamide
CID 106331395

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide (CID 114914479) is 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide is NNc1c(C(=O)Nc2nnns2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide?
The InChIKey is AHJOCKCPMDVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7O3S/c9-11-6-4(2-1-3-5(6)15(17)18)7(16)10-8-12-13-14-19-8/h1-3,11H,9H2,(H,10,12,14,16).
What are the key properties of 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide?
2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide has a molecular weight of 281.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114914479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).