4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C13H16N4O3 — CID 60982282

IUPAC4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ncn[nH]2)cc1OC
InChIInChI=1S/C13H16N4O3/c1-3-20-10-5-4-9(6-11(10)19-2)13(18)14-7-12-15-8-16-17-12/h4-6,8H,3,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyWCZIQGYGWFEFIM-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.14
Rot. Bonds6

About 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 60982282) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID60982282
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCCOc1ccc(C(=O)NCc2ncn[nH]2)cc1OC
InChIInChI=1S/C13H16N4O3/c1-3-20-10-5-4-9(6-11(10)19-2)13(18)14-7-12-15-8-16-17-12/h4-6,8H,3,7H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyWCZIQGYGWFEFIM-UHFFFAOYSA-N
XLogP1.14
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510859
2-amino-4,5-dimethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 61118251
3-ethoxy-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510321
2-(2-ethoxyphenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983446
5-[(2-methoxy-4-methylphenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-oxazole-3-carboxamide
CID 56760139
1-(3,4-dimethoxybenzoyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-4-carboxamide
CID 118765591
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
3-bromo-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113244827
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 60982282) is 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CCOc1ccc(C(=O)NCc2ncn[nH]2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is WCZIQGYGWFEFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-3-20-10-5-4-9(6-11(10)19-2)13(18)14-7-12-15-8-16-17-12/h4-6,8H,3,7H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 276.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 60982282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).