5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid

C13H9N3O4 — CID 82201232

IUPAC5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccc(O)cc2)c1-c1ccco1
InChIInChI=1S/C13H9N3O4/c17-9-5-3-8(4-6-9)16-12(10-2-1-7-20-10)11(13(18)19)14-15-16/h1-7,17H,(H,18,19)
InChIKeyNTURGQMPDWLXOE-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.93
Rot. Bonds3

About 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid

5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid (PubChem CID 82201232) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
PubChem CID82201232
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccc(O)cc2)c1-c1ccco1
InChIInChI=1S/C13H9N3O4/c17-9-5-3-8(4-6-9)16-12(10-2-1-7-20-10)11(13(18)19)14-15-16/h1-7,17H,(H,18,19)
InChIKeyNTURGQMPDWLXOE-UHFFFAOYSA-N
XLogP1.93
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
CID 17015040
5-(furan-2-yl)-1-(4-methoxycarbonylphenyl)triazole-4-carboxylic acid
CID 94940392
5-(furan-2-yl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
CID 82221240
1-butyl-5-(furan-2-yl)triazole-4-carboxylic acid
CID 82202111
5-(3,4-dimethylphenyl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 94940470
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82211199
5-benzyl-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201306
5-(furan-2-yl)-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202306
1-(4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbaldehyde
CID 82196761
[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82200760
1-(4-bromophenyl)-5-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 112707652

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid (CID 82201232) is 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid is O=C(O)c1nnn(-c2ccc(O)cc2)c1-c1ccco1.
What is the InChIKey of 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid?
The InChIKey is NTURGQMPDWLXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-9-5-3-8(4-6-9)16-12(10-2-1-7-20-10)11(13(18)19)14-15-16/h1-7,17H,(H,18,19).
What are the key properties of 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid?
5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid has a molecular weight of 271.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82201232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).