2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C11H12N4O3 — CID 912373

IUPAC2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ncn[nH]2)c1OC
InChIInChI=1S/C11H12N4O3/c1-17-8-5-3-4-7(9(8)18-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyUWSWDLDUMCNPKO-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.07
Rot. Bonds4

About 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide

2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 912373) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID912373
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ncn[nH]2)c1OC
InChIInChI=1S/C11H12N4O3/c1-17-8-5-3-4-7(9(8)18-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyUWSWDLDUMCNPKO-UHFFFAOYSA-N
XLogP1.07
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
CID 55027603
N-(4-acetamidophenyl)-2,3-dimethoxybenzamide
CID 912418
N-(5-bromo-2-pyridinyl)-2,3-dimethoxybenzamide
CID 23931504
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
3-bromo-2-fluoro-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 106547869
3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71701404
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
2-[4-(2-hydroxy-2-methoxyethyl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 138641184
1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 110464560
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
7-methoxy-4-oxo-N-(1H-1,2,4-triazol-5-yl)-1H-quinoline-3-carboxamide
CID 124506094

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 912373) is 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1cccc(C(=O)Nc2ncn[nH]2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is UWSWDLDUMCNPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-8-5-3-4-7(9(8)18-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 248.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 912373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).