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

C11H15N3O2 — CID 61345949

IUPAC2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-5-7(8)10-12-9(13-14-10)6-3-1-2-4-6/h6-8H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyIAHDDZHUAAIICS-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.65
Rot. Bonds3

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

2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 61345949) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID61345949
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1c1nc(C2CCCC2)n[nH]1
InChIInChI=1S/C11H15N3O2/c15-11(16)8-5-7(8)10-12-9(13-14-10)6-3-1-2-4-6/h6-8H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyIAHDDZHUAAIICS-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

rac-(1R,2S)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832263
rac-(1R,2R)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832262
2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 61361019
2-[[3-(2-carboxyethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanedioic acid
CID 69995879
2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoic acid
CID 166903388
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-[2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)ethyl]dihydrofuran-2(3H)-one
CID 50971817
methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate
CID 50974964
4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-3,3-dimethylbutanoic acid
CID 55156344
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid
CID 61345339
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61345340

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid (CID 61345949) is 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1c1nc(C2CCCC2)n[nH]1.
What is the InChIKey of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is IAHDDZHUAAIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-11(16)8-5-7(8)10-12-9(13-14-10)6-3-1-2-4-6/h6-8H,1-5H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid?
2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-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 2-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61345949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).