5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide

C11H12N4O3 — CID 169403137

IUPAC5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1ccc(O)c(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C11H12N4O3/c1-2-18-6-3-4-8(16)7(5-6)9-10(11(12)17)14-15-13-9/h3-5,16H,2H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyXTHWMAKHQOGRDO-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.67
Rot. Bonds4

About 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide

5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 169403137) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
PubChem CID169403137
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide
SMILESCCOc1ccc(O)c(-c2n[nH]nc2C(N)=O)c1
InChIInChI=1S/C11H12N4O3/c1-2-18-6-3-4-8(16)7(5-6)9-10(11(12)17)14-15-13-9/h3-5,16H,2H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyXTHWMAKHQOGRDO-UHFFFAOYSA-N
XLogP0.67
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide (CID 169403137) is 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide is CCOc1ccc(O)c(-c2n[nH]nc2C(N)=O)c1.
What is the InChIKey of 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is XTHWMAKHQOGRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-2-18-6-3-4-8(16)7(5-6)9-10(11(12)17)14-15-13-9/h3-5,16H,2H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide?
5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethoxy-2-hydroxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).