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

C12H14N4O3 — CID 78928069

IUPAC2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C)n2)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-7-13-12(16-15-7)14-11(17)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyJZBMRBCUQKBUMQ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.38
Rot. Bonds4

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

2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 78928069) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID78928069
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2n[nH]c(C)n2)c(OC)c1
InChIInChI=1S/C12H14N4O3/c1-7-13-12(16-15-7)14-11(17)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyJZBMRBCUQKBUMQ-UHFFFAOYSA-N
XLogP1.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dimethoxybenzamide
CID 17274555
3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 79673258
4-chloro-2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 103779385
2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670331
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927671
4-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]benzoic acid
CID 115411101
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide
CID 51098448
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylfuran-2-carboxamide
CID 122146782
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 78928069) is 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is COc1ccc(C(=O)Nc2n[nH]c(C)n2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is JZBMRBCUQKBUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-13-12(16-15-7)14-11(17)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 262.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 78928069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).