2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

C9H10N8O3 — CID 115937049

IUPAC2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESNNc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N8O3/c10-12-8-5(2-1-3-6(8)17(19)20)9(18)11-4-7-13-15-16-14-7/h1-3,12H,4,10H2,(H,11,18)(H,13,14,15,16)
InChIKeyKWJFWBHNHRFLCD-UHFFFAOYSA-N
MW278.23 g/mol
LogP-0.68
Rot. Bonds5

About 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 115937049) has the molecular formula C9H10N8O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID115937049
Molecular FormulaC9H10N8O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESNNc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N8O3/c10-12-8-5(2-1-3-6(8)17(19)20)9(18)11-4-7-13-15-16-14-7/h1-3,12H,4,10H2,(H,11,18)(H,13,14,15,16)
InChIKeyKWJFWBHNHRFLCD-UHFFFAOYSA-N
XLogP-0.68
TPSA164.75 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 5-0.68
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

2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758
N-ethyl-2-hydrazinyl-3-nitrobenzamide
CID 112580670
2,5-difluoro-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 107121999
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
5-(ethylamino)-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 62176193
N-(2-cyclopropylethyl)-2-hydrazinyl-3-nitrobenzamide
CID 112580705
N-(cyclohexylmethyl)-2-hydrazinyl-3-nitrobenzamide
CID 115937120
3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351
N-[2-(dimethylamino)-2-methylpropyl]-2-hydrazinyl-3-nitrobenzamide
CID 115937099
2-(3-nitrophenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 112693194
2-hydrazinyl-3-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 115937147
2-hydrazinyl-N-[(2-methylcyclopentyl)methyl]-3-nitrobenzamide
CID 107420673

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 115937049) is 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is NNc1c(C(=O)NCc2nn[nH]n2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is KWJFWBHNHRFLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N8O3/c10-12-8-5(2-1-3-6(8)17(19)20)9(18)11-4-7-13-15-16-14-7/h1-3,12H,4,10H2,(H,11,18)(H,13,14,15,16).
What are the key properties of 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 278.23 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 115937049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).