2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid

C8H11N3O2 — CID 62694471

IUPAC2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCn1cnnc1C1CC1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-11-4-9-10-7(11)5-3-6(5)8(12)13/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZQGJPMSHRGFQNO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.49
Rot. Bonds3

About 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid

2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 62694471) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID62694471
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCn1cnnc1C1CC1C(=O)O
InChIInChI=1S/C8H11N3O2/c1-2-11-4-9-10-7(11)5-3-6(5)8(12)13/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZQGJPMSHRGFQNO-UHFFFAOYSA-N
XLogP0.49
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (CID 62694471) is 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is CCn1cnnc1C1CC1C(=O)O.
What is the InChIKey of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ZQGJPMSHRGFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-11-4-9-10-7(11)5-3-6(5)8(12)13/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62694471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).