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

C8H11N3O2 — CID 61346550

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCc1nc(C2CC2C(=O)O)n[nH]1
InChIInChI=1S/C8H11N3O2/c1-2-6-9-7(11-10-6)4-3-5(4)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyVUANPOLPJBNKBR-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.56
Rot. Bonds3

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

2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 61346550) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID61346550
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
SMILESCCc1nc(C2CC2C(=O)O)n[nH]1
InChIInChI=1S/C8H11N3O2/c1-2-6-9-7(11-10-6)4-3-5(4)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyVUANPOLPJBNKBR-UHFFFAOYSA-N
XLogP0.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(1R,2S)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832263
3-fluoro-3-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 83817642
rac-(1R,2R)-2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 93832262
2-(1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid
CID 61361019
2-[[3-(2-carboxyethyl)-1H-1,2,4-triazol-5-yl]methyl]pentanedioic acid
CID 69995879
3-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclobutane-1-carboxylic acid
CID 172383319
3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclobutane-1-carboxylic acid
CID 172383769
3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoic acid
CID 28065318
methyl 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)butanoate
CID 50974964
4-(3-cyclohexyl-1H-1,2,4-triazol-5-yl)-3,3-dimethylbutanoic acid
CID 55156344
3-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)propanoic acid
CID 61345339
4-(3-cyclopentyl-1H-1,2,4-triazol-5-yl)butanoic acid
CID 61345340

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid (CID 61346550) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is CCc1nc(C2CC2C(=O)O)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is VUANPOLPJBNKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-6-9-7(11-10-6)4-3-5(4)8(12)13/h4-5H,2-3H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61346550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).