3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

C11H15N3O2 — CID 103552358

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-4-3-7(5-8)10-12-9(13-14-10)6-1-2-6/h6-8H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyQKCGALMACWAKTK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds3

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 103552358) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID103552358
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-4-3-7(5-8)10-12-9(13-14-10)6-1-2-6/h6-8H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyQKCGALMACWAKTK-UHFFFAOYSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 55146919
(1S,6R)-6-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)cyclohex-3-ene-1-carboxylic acid
CID 104963281
5-cyclopentyl-3-(5-methyloxolan-3-yl)-1H-1,2,4-triazole
CID 114826027
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-cyclopentyl-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 62906735
2-tert-butyl-4-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]piperidine-1-carboxylic acid
CID 118163712
[5-chloro-6-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587274
5-(4-butylcyclohexyl)-3-cyclopropyl-1H-1,2,4-triazole
CID 61338878
3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552376
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192432

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (CID 103552358) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is QKCGALMACWAKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)8-4-3-7(5-8)10-12-9(13-14-10)6-1-2-6/h6-8H,1-5H2,(H,15,16)(H,12,13,14).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).