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

C12H19N3O2 — CID 55108042

IUPAC2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCCn1ncnc1CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H19N3O2/c1-2-15-10(13-9-14-15)7-12(8-11(16)17)5-3-4-6-12/h9H,2-8H2,1H3,(H,16,17)
InChIKeyRRORTWSUFRSBOX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.88
Rot. Bonds5

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

2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (PubChem CID 55108042) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
PubChem CID55108042
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
SMILESCCn1ncnc1CC1(CC(=O)O)CCCC1
InChIInChI=1S/C12H19N3O2/c1-2-15-10(13-9-14-15)7-12(8-11(16)17)5-3-4-6-12/h9H,2-8H2,1H3,(H,16,17)
InChIKeyRRORTWSUFRSBOX-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-1H-1,2,4-triazol-5-yl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 165648502
2-[1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108085
2-[1-[(2,5-Dimethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108184
2-[1-[(4-Propyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108277
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 55108623
1-[(4-Propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 55108624
2-[1-[(4-Cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid
CID 55108676
2-[1-[(2-Methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]acetic acid
CID 55108725
1-[(4-Methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxylic acid
CID 55108774
1-[(5-Ethyl-2-methyl-1,2,4-triazol-3-yl)methyl]cycloheptane-1-carboxylic acid
CID 55111185
4-(5-Tert-butyl-2-methyl-1,2,4-triazol-3-yl)-3,3-dimethylbutanoic acid
CID 55156730
4-(4-Cyclopentyl-1,2,4-triazol-3-yl)-3-methylbutanoic acid
CID 55156940

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid (CID 55108042) is 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is CCn1ncnc1CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
The InChIKey is RRORTWSUFRSBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-10(13-9-14-15)7-12(8-11(16)17)5-3-4-6-12/h9H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid?
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]acetic acid is sourced from PubChem (CID 55108042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).