2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid

C12H19N3O2 — CID 61346551

IUPAC2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESCCc1n[nH]c(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-9-13-10(15-14-9)7-12(8-11(16)17)5-3-4-6-12/h2-8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyYAYYHYGPHVLLDI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid

2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid (PubChem CID 61346551) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid
PubChem CID61346551
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid
SMILESCCc1n[nH]c(CC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-2-9-13-10(15-14-9)7-12(8-11(16)17)5-3-4-6-12/h2-8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyYAYYHYGPHVLLDI-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid (CID 61346551) is 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid is CCc1n[nH]c(CC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is YAYYHYGPHVLLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-9-13-10(15-14-9)7-12(8-11(16)17)5-3-4-6-12/h2-8H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61346551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).