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

C13H8ClN3O3 — CID 17015040

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccco1
InChIInChI=1S/C13H8ClN3O3/c14-8-3-5-9(6-4-8)17-12(10-2-1-7-20-10)11(13(18)19)15-16-17/h1-7H,(H,18,19)
InChIKeyYFAZGKCIHTWLAZ-UHFFFAOYSA-N
MW289.68 g/mol
LogP2.88
Rot. Bonds3

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

1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid (PubChem CID 17015040) has the molecular formula C13H8ClN3O3 and a molecular weight of 289.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
PubChem CID17015040
Molecular FormulaC13H8ClN3O3
Molecular Weight289.68 g/mol
Exact Mass289.03
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccco1
InChIInChI=1S/C13H8ClN3O3/c14-8-3-5-9(6-4-8)17-12(10-2-1-7-20-10)11(13(18)19)15-16-17/h1-7H,(H,18,19)
InChIKeyYFAZGKCIHTWLAZ-UHFFFAOYSA-N
XLogP2.88
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(furan-2-yl)-1-(4-hydroxyphenyl)triazole-4-carboxylic acid
CID 82201232
5-(furan-2-yl)-1-(4-methoxycarbonylphenyl)triazole-4-carboxylic acid
CID 94940392
[1-(4-chlorophenyl)-5-(furan-2-yl)triazol-4-yl]methanol
CID 82200760
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
1,5-diphenyltriazole-4-carboxylic acid
CID 7009913
5-(furan-2-yl)-1-[2-(methylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82211199
5-(furan-2-yl)-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202306
1-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbonitrile
CID 82195388
1-(4-fluorophenyl)-5-(furan-2-yl)triazole-4-carbaldehyde
CID 82196761
5-(4-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid
CID 56768828
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid (CID 17015040) is 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid is O=C(O)c1nnn(-c2ccc(Cl)cc2)c1-c1ccco1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid?
The InChIKey is YFAZGKCIHTWLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3/c14-8-3-5-9(6-4-8)17-12(10-2-1-7-20-10)11(13(18)19)15-16-17/h1-7H,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid?
1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid has a molecular weight of 289.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 17015040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).