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

C11H17N3O2 — CID 103980132

IUPAC2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)c1n[nH]c(C2CCCC2C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-6(2)9-12-10(14-13-9)7-4-3-5-8(7)11(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyUPBZFSGCQIDQJA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.90
Rot. Bonds3

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

2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 103980132) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
PubChem CID103980132
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)c1n[nH]c(C2CCCC2C(=O)O)n1
InChIInChI=1S/C11H17N3O2/c1-6(2)9-12-10(14-13-9)7-4-3-5-8(7)11(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyUPBZFSGCQIDQJA-UHFFFAOYSA-N
XLogP1.90
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid
CID 103980129
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
3-propan-2-yl-5-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 61336970
5-cyclopropyl-3-propan-2-yl-1H-1,2,4-triazole
CID 61337311
2-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
CID 106745235
2-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid
CID 61376468
N-methyl-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)oxolan-3-amine
CID 66266341
2-(5-amino-1-methyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 104605775
2-(1,2-thiazol-3-yl)cyclopentane-1-carboxylic acid
CID 130898178
tert-butyl 4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 66486974
(1S)-1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)ethanol
CID 66263854
(1S)-1-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 163409809

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid (CID 103980132) is 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is CC(C)c1n[nH]c(C2CCCC2C(=O)O)n1.
What is the InChIKey of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is UPBZFSGCQIDQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-6(2)9-12-10(14-13-9)7-4-3-5-8(7)11(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid?
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103980132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).