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

C11H17N3O3 — CID 165475519

IUPAC5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
SMILESCC(O)Cn1nnc(C(=O)O)c1C1CCCC1
InChIInChI=1S/C11H17N3O3/c1-7(15)6-14-10(8-4-2-3-5-8)9(11(16)17)12-13-14/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyRYYAWMNBJHUWQQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.01
Rot. Bonds4

About 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid

5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid (PubChem CID 165475519) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
PubChem CID165475519
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid
SMILESCC(O)Cn1nnc(C(=O)O)c1C1CCCC1
InChIInChI=1S/C11H17N3O3/c1-7(15)6-14-10(8-4-2-3-5-8)9(11(16)17)12-13-14/h7-8,15H,2-6H2,1H3,(H,16,17)
InChIKeyRYYAWMNBJHUWQQ-UHFFFAOYSA-N
XLogP1.01
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123511
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
5-cyclopropyl-1-(4-methylpentyl)triazole-4-carboxylic acid
CID 83161633
5-cyclobutyl-1-[2-(cyclopentylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 82202469
1-(2-amino-2-oxoethyl)-5-cyclopropyltriazole-4-carboxylic acid
CID 62053741
1-(1-carboxyethyl)-5-cyclobutyltriazole-4-carboxylic acid
CID 82202471
5-cyclopropyl-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
CID 82210566
5-cyclobutyl-1-[(2-methylphenyl)methyl]triazole-4-carboxylic acid
CID 82202481
1-[(5-carboxyfuran-2-yl)methyl]-5-cyclohexyltriazole-4-carboxylic acid
CID 94946416
5-cyclopentyl-1-(2-phenylmethoxyethyl)triazole-4-carboxylic acid
CID 165486533
5-cyclopropyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62056332
methyl 1-(2-hydroxypropyl)-5-pyrrolidin-2-yltriazole-4-carboxylate
CID 103126607

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid?
The IUPAC name of 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid (CID 165475519) is 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid is CC(O)Cn1nnc(C(=O)O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid?
The InChIKey is RYYAWMNBJHUWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)6-14-10(8-4-2-3-5-8)9(11(16)17)12-13-14/h7-8,15H,2-6H2,1H3,(H,16,17).
What are the key properties of 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid?
5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(2-hydroxypropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 165475519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).