3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

C10H11N7O3 — CID 62680335

IUPAC3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCNc1cc(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N7O3/c1-11-7-4-6(2-3-8(7)17(19)20)10(18)12-5-9-13-15-16-14-9/h2-4,11H,5H2,1H3,(H,12,18)(H,13,14,15,16)
InChIKeyGKQUHTDLXWUWJD-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.08
Rot. Bonds5

About 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide

3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 62680335) has the molecular formula C10H11N7O3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID62680335
Molecular FormulaC10H11N7O3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCNc1cc(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N7O3/c1-11-7-4-6(2-3-8(7)17(19)20)10(18)12-5-9-13-15-16-14-9/h2-4,11H,5H2,1H3,(H,12,18)(H,13,14,15,16)
InChIKeyGKQUHTDLXWUWJD-UHFFFAOYSA-N
XLogP0.08
TPSA138.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82781351
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
N-(3-amino-3-oxopropyl)-3-(methylamino)-4-nitrobenzamide
CID 55102981
3-(methylamino)-N-[(5-methylfuran-2-yl)methyl]-4-nitrobenzamide
CID 62682694
N-(5-amino-5-oxopentyl)-3-(methylamino)-4-nitrobenzamide
CID 106241069
N,N-dimethyl-3-nitro-4-(2H-tetrazol-5-ylmethylamino)benzamide
CID 82991354
3-(methylamino)-4-nitro-N-(2-propan-2-yloxyethyl)benzamide
CID 104765549
3-fluoro-5-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 78954200
N-(cyclobutylmethyl)-3-(methylamino)-4-nitrobenzamide
CID 62682663
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
2-amino-3-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112696758
N-[4-(dimethylamino)butyl]-3-(methylamino)-4-nitrobenzamide
CID 62682681

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 62680335) is 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is CNc1cc(C(=O)NCc2nn[nH]n2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is GKQUHTDLXWUWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O3/c1-11-7-4-6(2-3-8(7)17(19)20)10(18)12-5-9-13-15-16-14-9/h2-4,11H,5H2,1H3,(H,12,18)(H,13,14,15,16).
What are the key properties of 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide?
3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-nitro-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 62680335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).