3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid

C10H15N3O2 — CID 61345339

IUPAC3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C10H15N3O2/c14-9(15)6-5-8-11-10(13-12-8)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)(H,11,12,13)
InChIKeyPOXMYOJQGOINAI-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.48
Rot. Bonds4

About 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid

3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid (PubChem CID 61345339) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid
PubChem CID61345339
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid
SMILESO=C(O)CCc1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C10H15N3O2/c14-9(15)6-5-8-11-10(13-12-8)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)(H,11,12,13)
InChIKeyPOXMYOJQGOINAI-UHFFFAOYSA-N
XLogP1.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 74250590
3-fluoro-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 83817642
2-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)acetic acid
CID 18739516
2-[5-(carboxymethyl)-1H-1,2,4-triazol-3-yl]butanedioic acid
CID 69995302
2-[[3-(2-carboxyethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanedioic acid
CID 69995879
5-cyclopentyl-1H-1,2,4-triazole-3-carboxylic acid
CID 84033117
3-(Cyclopentylmethyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 90351231
3-(2-Cyclopentylethyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 90351234
3-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxylic acid
CID 172383319
3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxylic acid
CID 172383769
3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoic acid
CID 28065318
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61345340

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid (CID 61345339) is 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid is O=C(O)CCc1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid?
The InChIKey is POXMYOJQGOINAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9(15)6-5-8-11-10(13-12-8)7-3-1-2-4-7/h7H,1-6H2,(H,14,15)(H,11,12,13).
What are the key properties of 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid?
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid is sourced from PubChem (CID 61345339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).