1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid

C15H24N4O2 — CID 79309425

IUPAC1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCCC1CCC(N2CC(n3cc(C(=O)O)nn3)C2)CC1
InChIInChI=1S/C15H24N4O2/c1-2-3-11-4-6-12(7-5-11)18-8-13(9-18)19-10-14(15(20)21)16-17-19/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyQKNSCENWPZSJLD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.19
Rot. Bonds5

About 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid

1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid (PubChem CID 79309425) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
PubChem CID79309425
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
SMILESCCCC1CCC(N2CC(n3cc(C(=O)O)nn3)C2)CC1
InChIInChI=1S/C15H24N4O2/c1-2-3-11-4-6-12(7-5-11)18-8-13(9-18)19-10-14(15(20)21)16-17-19/h10-13H,2-9H2,1H3,(H,20,21)
InChIKeyQKNSCENWPZSJLD-UHFFFAOYSA-N
XLogP2.19
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-propylcyclohexyl)azetidin-3-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

1-[1-(2-ethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308948
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
1-[1-(3-cyclopentylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 75356198
1-[1-(1-ethyl-2,5-dioxopyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311498
1-[1-(1,5-dimethylpyrrolidin-3-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 81467755
1-[1-(3,3-dimethylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79316647
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-(1-heptanoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309145
1-[1-(2-propoxyethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106454766
1-[1-(3-methylpentan-3-ylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 106330658
1-[1-(1-amino-1-oxobutan-2-yl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310444

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid (CID 79309425) is 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid is CCCC1CCC(N2CC(n3cc(C(=O)O)nn3)C2)CC1.
What is the InChIKey of 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
The InChIKey is QKNSCENWPZSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-3-11-4-6-12(7-5-11)18-8-13(9-18)19-10-14(15(20)21)16-17-19/h10-13H,2-9H2,1H3,(H,20,21).
What are the key properties of 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid?
1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-propylcyclohexyl)azetidin-3-yl]triazole-4-carboxylic acid is sourced from PubChem (CID 79309425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).