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

C11H15N3O2 — CID 103552376

IUPAC3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nncn2C2CC2)C1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-2-1-7(5-8)10-13-12-6-14(10)9-3-4-9/h6-9H,1-5H2,(H,15,16)
InChIKeyOLTBVQHTTKQXHI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.58
Rot. Bonds3

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

3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 103552376) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID103552376
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nncn2C2CC2)C1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-2-1-7(5-8)10-13-12-6-14(10)9-3-4-9/h6-9H,1-5H2,(H,15,16)
InChIKeyOLTBVQHTTKQXHI-UHFFFAOYSA-N
XLogP1.58
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid (CID 103552376) is 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(c2nncn2C2CC2)C1.
What is the InChIKey of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is OLTBVQHTTKQXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)8-2-1-7(5-8)10-13-12-6-14(10)9-3-4-9/h6-9H,1-5H2,(H,15,16).
What are the key properties of 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid?
3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103552376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).