1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid

C11H17N3O3 — CID 103161001

IUPAC1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC(O)CC2CCCC2)nn1
InChIInChI=1S/C11H17N3O3/c15-9(5-8-3-1-2-4-8)6-14-7-10(11(16)17)12-13-14/h7-9,15H,1-6H2,(H,16,17)
InChIKeyJTHVVBPHLLQQGU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.92
Rot. Bonds5

About 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid

1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid (PubChem CID 103161001) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid
PubChem CID103161001
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(CC(O)CC2CCCC2)nn1
InChIInChI=1S/C11H17N3O3/c15-9(5-8-3-1-2-4-8)6-14-7-10(11(16)17)12-13-14/h7-9,15H,1-6H2,(H,16,17)
InChIKeyJTHVVBPHLLQQGU-UHFFFAOYSA-N
XLogP0.92
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-aminoethyl)triazol-1-yl]-3-cyclopentylpropan-2-ol
CID 103161030
1-(2-pyrrolidin-1-ylpropyl)triazole-4-carboxylic acid
CID 102549144
1-(3-butoxy-2-hydroxypropyl)triazole-4-carboxylic acid
CID 107264347
1-[2-(azepan-1-yl)propyl]triazole-4-carboxylic acid
CID 102549148
1-(2-methylbutyl)triazole-4-carboxylic acid
CID 62103315
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
1-[(3-aminocyclobutyl)methyl]triazole-4-carboxylic acid
CID 165440494
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289739
1-[2-[cyclopentyl(methyl)amino]ethyl]triazole-4-carboxylic acid
CID 43267317
1-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxylic acid
CID 56771392
1-[2-(4-bromophenyl)-2-hydroxyethyl]triazole-4-carboxylic acid
CID 112707642
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid (CID 103161001) is 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid is O=C(O)c1cn(CC(O)CC2CCCC2)nn1.
What is the InChIKey of 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid?
The InChIKey is JTHVVBPHLLQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-9(5-8-3-1-2-4-8)6-14-7-10(11(16)17)12-13-14/h7-9,15H,1-6H2,(H,16,17).
What are the key properties of 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid?
1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-2-hydroxypropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 103161001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).