5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid

C15H16FN3O2 — CID 82201206

IUPAC5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccccc2F)c1C1CCCCC1
InChIInChI=1S/C15H16FN3O2/c16-11-8-4-5-9-12(11)19-14(10-6-2-1-3-7-10)13(15(20)21)17-18-19/h4-5,8-10H,1-3,6-7H2,(H,20,21)
InChIKeyGGMUFPNAZLIFNV-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.15
Rot. Bonds3

About 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid

5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid (PubChem CID 82201206) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
PubChem CID82201206
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(-c2ccccc2F)c1C1CCCCC1
InChIInChI=1S/C15H16FN3O2/c16-11-8-4-5-9-12(11)19-14(10-6-2-1-3-7-10)13(15(20)21)17-18-19/h4-5,8-10H,1-3,6-7H2,(H,20,21)
InChIKeyGGMUFPNAZLIFNV-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carboxylic acid
CID 82201402
1-(2-fluorophenyl)-5-(oxan-4-yl)triazole-4-carboxylic acid
CID 59604222
5-cyclopropyl-1-(2-methylsulfanylphenyl)triazole-4-carboxylic acid
CID 43325203
5-cyclobutyl-1-(2-ethoxyphenyl)triazole-4-carboxylic acid
CID 82201408
5-cyclobutyl-1-(2-fluorophenyl)triazole-4-carbaldehyde
CID 82196547
5-cyclopropyl-1-(2-propan-2-ylphenyl)triazole-4-carboxylic acid
CID 43325192
1-(3-chloro-2-methylphenyl)-5-cyclobutyltriazole-4-carboxylic acid
CID 82201401
1-(3-chloro-2-methylphenyl)-5-cyclopropyltriazole-4-carboxylic acid
CID 43142139
5-cyclopropyl-1-(2-propoxyphenyl)triazole-4-carboxylic acid
CID 82201144
5-cyclohexyl-1-(1,3-thiazol-2-yl)triazole-4-carboxylic acid
CID 82220736
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166084
5-cyclopropyl-1-(3,5-dichloro-4-fluorophenyl)triazole-4-carboxylic acid
CID 107575524

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid (CID 82201206) is 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid is O=C(O)c1nnn(-c2ccccc2F)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid?
The InChIKey is GGMUFPNAZLIFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-11-8-4-5-9-12(11)19-14(10-6-2-1-3-7-10)13(15(20)21)17-18-19/h4-5,8-10H,1-3,6-7H2,(H,20,21).
What are the key properties of 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid?
5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(2-fluorophenyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82201206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).