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

C11H17N3O2 — CID 61346145

IUPAC1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCCc1n[nH]c(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H17N3O2/c1-2-8-12-9(14-13-8)7-11(10(15)16)5-3-4-6-11/h2-7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyMZCFDALLJWGZKP-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.55
Rot. Bonds4

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

1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 61346145) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID61346145
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCCc1n[nH]c(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H17N3O2/c1-2-8-12-9(14-13-8)7-11(10(15)16)5-3-4-6-11/h2-7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyMZCFDALLJWGZKP-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid (CID 61346145) is 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid is CCc1n[nH]c(CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MZCFDALLJWGZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8-12-9(14-13-8)7-11(10(15)16)5-3-4-6-11/h2-7H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61346145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).