N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide

C13H12N4O3 — CID 167808503

IUPACN-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(O)c3ccoc3c2)n1
InChIInChI=1S/C13H12N4O3/c1-2-17-14-7-12(16-17)15-13(19)8-5-10(18)9-3-4-20-11(9)6-8/h3-7,18H,2H2,1H3,(H,15,16,19)
InChIKeyQTCNQEMAPYHEGY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.00
Rot. Bonds3

About N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide

N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide (PubChem CID 167808503) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide
PubChem CID167808503
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide
SMILESCCn1ncc(NC(=O)c2cc(O)c3ccoc3c2)n1
InChIInChI=1S/C13H12N4O3/c1-2-17-14-7-12(16-17)15-13(19)8-5-10(18)9-3-4-20-11(9)6-8/h3-7,18H,2H2,1H3,(H,15,16,19)
InChIKeyQTCNQEMAPYHEGY-UHFFFAOYSA-N
XLogP2.00
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyltriazol-4-yl)-2,2,4-trimethyl-3H-1-benzofuran-6-carboxamide
CID 90206759
2-(4-acetamidotriazol-2-yl)-N-ethylacetamide
CID 112519987
N-(5-methyl-2-propylpyrazol-3-yl)-4-propan-2-yloxy-1-benzofuran-6-carboxamide
CID 56731058
2-[4-(3-acetylphenyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethyltriazol-4-yl)acetamide
CID 46983725
ethyl 2-[4-[(3-methoxybenzoyl)amino]triazol-2-yl]acetate
CID 112535456
4-(4-methylperoxysulfanylphenoxy)-N-(1-methylpyrazol-3-yl)-1-benzofuran-6-carboxamide
CID 59560300
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
2,6-dichloro-N-(1-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 114251518
ethyl N-(4-methylfuro[3,2-c]pyridin-6-yl)carbamate
CID 12739067
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
methyl 2-[(2-ethyltriazol-4-yl)sulfonylamino]pyridine-4-carboxylate
CID 138047479
N-(2-ethyltriazol-4-yl)-2-[3-(3-methylpyrazin-2-yl)pyrazol-1-yl]acetamide
CID 46989829

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide?
The IUPAC name of N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide (CID 167808503) is N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide?
The canonical SMILES for N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide is CCn1ncc(NC(=O)c2cc(O)c3ccoc3c2)n1.
What is the InChIKey of N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide?
The InChIKey is QTCNQEMAPYHEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-2-17-14-7-12(16-17)15-13(19)8-5-10(18)9-3-4-20-11(9)6-8/h3-7,18H,2H2,1H3,(H,15,16,19).
What are the key properties of N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide?
N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltriazol-4-yl)-4-hydroxy-1-benzofuran-6-carboxamide is sourced from PubChem (CID 167808503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).