2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide

C9H8N6O3 — CID 13267886

IUPAC2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H8N6O3/c1-5-3-2-4-6(15(17)18)7(5)8(16)10-9-11-13-14-12-9/h2-4H,1H3,(H2,10,11,12,13,14,16)
InChIKeyDRZACGKWDNSKMN-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.67
Rot. Bonds3

About 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide

2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13267886) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13267886
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1nn[nH]n1
InChIInChI=1S/C9H8N6O3/c1-5-3-2-4-6(15(17)18)7(5)8(16)10-9-11-13-14-12-9/h2-4H,1H3,(H2,10,11,12,13,14,16)
InChIKeyDRZACGKWDNSKMN-UHFFFAOYSA-N
XLogP0.67
TPSA126.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267889
2-hydroxy-3-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 12962786
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808
2-methyl-N-(3-methylbut-2-enyl)-6-nitrobenzamide
CID 119049900
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
CID 150262373
N-(2-hydroxybutyl)-2-methyl-6-nitrobenzamide
CID 113492598
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
N-(3-cyanopentan-3-yl)-2-methyl-6-nitrobenzamide
CID 61120989
N-(5-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 43806323
N-(4-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 28880206
3-[(2-methyl-6-nitrobenzoyl)amino]thiophene-2-carboxylic acid
CID 29060397
6-(3-nitrophenyl)-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 20537499

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide (CID 13267886) is 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide is Cc1cccc([N+](=O)[O-])c1C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DRZACGKWDNSKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3/c1-5-3-2-4-6(15(17)18)7(5)8(16)10-9-11-13-14-12-9/h2-4H,1H3,(H2,10,11,12,13,14,16).
What are the key properties of 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide?
2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 248.20 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13267886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).