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

C9H13N3O2 — CID 62721046

IUPAC2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCc1nc(C2CC2C(=O)O)n(C)n1
InChIInChI=1S/C9H13N3O2/c1-3-7-10-8(12(2)11-7)5-4-6(5)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyZFAQWDONUXSQJL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.57
Rot. Bonds3

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

2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 62721046) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID62721046
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCc1nc(C2CC2C(=O)O)n(C)n1
InChIInChI=1S/C9H13N3O2/c1-3-7-10-8(12(2)11-7)5-4-6(5)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyZFAQWDONUXSQJL-UHFFFAOYSA-N
XLogP0.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (CID 62721046) is 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is CCc1nc(C2CC2C(=O)O)n(C)n1.
What is the InChIKey of 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is ZFAQWDONUXSQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-7-10-8(12(2)11-7)5-4-6(5)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62721046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).