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

C11H12N4O3 — CID 936109

IUPAC2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnnc2)c(OC)c1
InChIInChI=1S/C11H12N4O3/c1-17-8-3-4-9(10(5-8)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyIANDGRGNCWIRDR-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.68
Rot. Bonds4

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

2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 936109) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID936109
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnnc2)c(OC)c1
InChIInChI=1S/C11H12N4O3/c1-17-8-3-4-9(10(5-8)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16)
InChIKeyIANDGRGNCWIRDR-UHFFFAOYSA-N
XLogP0.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 814682
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethoxybenzamide
CID 9480532
2,4-dimethoxybenzoate
CID 6947027
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19329060
2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670331

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 936109) is 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1ccc(C(=O)Nn2cnnc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is IANDGRGNCWIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-17-8-3-4-9(10(5-8)18-2)11(16)14-15-6-12-13-7-15/h3-7H,1-2H3,(H,14,16).
What are the key properties of 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide?
2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 248.24 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 936109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).