N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide

C12H14N4O2 — CID 104818159

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
SMILESCCOc1n[nH]c(NC(=O)c2ccccc2C)n1
InChIInChI=1S/C12H14N4O2/c1-3-18-12-14-11(15-16-12)13-10(17)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeySRGOXWHVGBWPMC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.76
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide (PubChem CID 104818159) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
PubChem CID104818159
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
SMILESCCOc1n[nH]c(NC(=O)c2ccccc2C)n1
InChIInChI=1S/C12H14N4O2/c1-3-18-12-14-11(15-16-12)13-10(17)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeySRGOXWHVGBWPMC-UHFFFAOYSA-N
XLogP1.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methyl-5-nitrobenzamide
CID 104818168
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
CID 122355854
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methoxypyridine-4-carboxamide
CID 105064012
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
4-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methoxybenzamide
CID 104818012
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 114609996

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide (CID 104818159) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide is CCOc1n[nH]c(NC(=O)c2ccccc2C)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
The InChIKey is SRGOXWHVGBWPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-18-12-14-11(15-16-12)13-10(17)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide has a molecular weight of 246.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 104818159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).