4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C10H12N8O3 — CID 62247833

IUPAC4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NN)c([N+](=O)[O-])c1)c1nn[nH]n1
InChIInChI=1S/C10H12N8O3/c1-5(9-14-16-17-15-9)12-10(19)6-2-3-7(13-11)8(4-6)18(20)21/h2-5,13H,11H2,1H3,(H,12,19)(H,14,15,16,17)
InChIKeyNJWKKBVIAPTHLG-UHFFFAOYSA-N
MW292.26 g/mol
LogP-0.12
Rot. Bonds5

About 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 62247833) has the molecular formula C10H12N8O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID62247833
Molecular FormulaC10H12N8O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(NN)c([N+](=O)[O-])c1)c1nn[nH]n1
InChIInChI=1S/C10H12N8O3/c1-5(9-14-16-17-15-9)12-10(19)6-2-3-7(13-11)8(4-6)18(20)21/h2-5,13H,11H2,1H3,(H,12,19)(H,14,15,16,17)
InChIKeyNJWKKBVIAPTHLG-UHFFFAOYSA-N
XLogP-0.12
TPSA164.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
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

4-amino-3-chloro-5-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62160244
N-[1-(dimethylamino)propan-2-yl]-4-hydrazinyl-3-nitrobenzamide
CID 82949433
2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
2,6-difluoro-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 79758317
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81256281
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
4-fluoro-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]aniline
CID 115590428
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 62247833) is 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccc(NN)c([N+](=O)[O-])c1)c1nn[nH]n1.
What is the InChIKey of 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is NJWKKBVIAPTHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O3/c1-5(9-14-16-17-15-9)12-10(19)6-2-3-7(13-11)8(4-6)18(20)21/h2-5,13H,11H2,1H3,(H,12,19)(H,14,15,16,17).
What are the key properties of 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 292.26 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 62247833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).