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

C14H18N4O3 — CID 78928120

IUPAC3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1OCC
InChIInChI=1S/C14H18N4O3/c1-4-20-11-7-6-10(8-12(11)21-5-2)13(19)16-14-15-9(3)17-18-14/h6-8H,4-5H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyLYGXUXCYTONREV-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.16
Rot. Bonds6

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

3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 78928120) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID78928120
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1OCC
InChIInChI=1S/C14H18N4O3/c1-4-20-11-7-6-10(8-12(11)21-5-2)13(19)16-14-15-9(3)17-18-14/h6-8H,4-5H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyLYGXUXCYTONREV-UHFFFAOYSA-N
XLogP2.16
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 79673258
N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-propoxybenzamide
CID 78927673
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
4-bromo-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 112705907
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
3-bromo-5-fluoro-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928260
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 78928120) is 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is CCOc1ccc(C(=O)Nc2n[nH]c(C)n2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is LYGXUXCYTONREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-4-20-11-7-6-10(8-12(11)21-5-2)13(19)16-14-15-9(3)17-18-14/h6-8H,4-5H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 290.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 78928120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).