2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C11H11N5O4 — CID 81414361

IUPAC2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H11N5O4/c1-20-8-4-2-3-7(16(18)19)10(8)11(17)12-5-9-13-6-14-15-9/h2-4,6H,5H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyVKOVHFPYVGEWOV-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.65
Rot. Bonds5

About 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 81414361) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID81414361
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCOc1cccc([N+](=O)[O-])c1C(=O)NCc1ncn[nH]1
InChIInChI=1S/C11H11N5O4/c1-20-8-4-2-3-7(16(18)19)10(8)11(17)12-5-9-13-6-14-15-9/h2-4,6H,5H2,1H3,(H,12,17)(H,13,14,15)
InChIKeyVKOVHFPYVGEWOV-UHFFFAOYSA-N
XLogP0.65
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.65
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'}

Analyze 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-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

2-methyl-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883775
2-methoxy-6-nitro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385156
N-[(2R)-2-hydroxypropyl]-2-methoxy-6-nitrobenzamide
CID 83058004
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 104620167
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
3-amino-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 115549169
2-amino-6-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 81420398
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
5-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 54883391
(2S)-2-hydroxy-4-[(2-methoxy-6-nitrobenzoyl)amino]butanoic acid
CID 107834695
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982282

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 81414361) is 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is COc1cccc([N+](=O)[O-])c1C(=O)NCc1ncn[nH]1.
What is the InChIKey of 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is VKOVHFPYVGEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-20-8-4-2-3-7(16(18)19)10(8)11(17)12-5-9-13-6-14-15-9/h2-4,6H,5H2,1H3,(H,12,17)(H,13,14,15).
What are the key properties of 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 277.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 81414361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).