1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid

C15H15FN4O2 — CID 97357332

IUPAC1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid
SMILESCN1CC=C(c2c(C(=O)O)nnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2/c1-19-8-6-10(7-9-19)14-13(15(21)22)17-18-20(14)12-4-2-11(16)3-5-12/h2-6H,7-9H2,1H3,(H,21,22)
InChIKeyFGBYQWADAGXJHS-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.82
Rot. Bonds3

About 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid

1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid (PubChem CID 97357332) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid
PubChem CID97357332
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid
SMILESCN1CC=C(c2c(C(=O)O)nnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN4O2/c1-19-8-6-10(7-9-19)14-13(15(21)22)17-18-20(14)12-4-2-11(16)3-5-12/h2-6H,7-9H2,1H3,(H,21,22)
InChIKeyFGBYQWADAGXJHS-UHFFFAOYSA-N
XLogP1.82
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid (CID 97357332) is 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid is CN1CC=C(c2c(C(=O)O)nnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid?
The InChIKey is FGBYQWADAGXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-19-8-6-10(7-9-19)14-13(15(21)22)17-18-20(14)12-4-2-11(16)3-5-12/h2-6H,7-9H2,1H3,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid?
1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid has a molecular weight of 302.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 97357332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).