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

C12H17N3O2 — CID 61362395

IUPAC2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1nnc(C2CC2C(=O)O)n1C1CCCC1
InChIInChI=1S/C12H17N3O2/c1-7-13-14-11(9-6-10(9)12(16)17)15(7)8-4-2-3-5-8/h8-10H,2-6H2,1H3,(H,16,17)
InChIKeySOBKMICCXSYNLS-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.89
Rot. Bonds3

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

2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 61362395) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID61362395
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1nnc(C2CC2C(=O)O)n1C1CCCC1
InChIInChI=1S/C12H17N3O2/c1-7-13-14-11(9-6-10(9)12(16)17)15(7)8-4-2-3-5-8/h8-10H,2-6H2,1H3,(H,16,17)
InChIKeySOBKMICCXSYNLS-UHFFFAOYSA-N
XLogP1.89
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (CID 61362395) is 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is Cc1nnc(C2CC2C(=O)O)n1C1CCCC1.
What is the InChIKey of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is SOBKMICCXSYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-13-14-11(9-6-10(9)12(16)17)15(7)8-4-2-3-5-8/h8-10H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61362395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).