ethyl 2-cyclobutyltriazole-4-carboxylate

C9H13N3O2 — CID 129164713

IUPACethyl 2-cyclobutyltriazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCC2)n1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-10-12(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyAZOQLXPQUQAFST-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.18
Rot. Bonds3

About ethyl 2-cyclobutyltriazole-4-carboxylate

ethyl 2-cyclobutyltriazole-4-carboxylate (PubChem CID 129164713) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-cyclobutyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclobutyltriazole-4-carboxylate
PubChem CID129164713
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Nameethyl 2-cyclobutyltriazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C2CCC2)n1
InChIInChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-10-12(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3
InChIKeyAZOQLXPQUQAFST-UHFFFAOYSA-N
XLogP1.18
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
ethyl 2-propan-2-yltriazole-4-carboxylate
CID 58356328
ethyl 2-(4-methylphenyl)triazole-4-carboxylate
CID 23465197
ethyl 2-[(2,2-difluorocyclobutyl)methyl]triazole-4-carboxylate
CID 157031517
ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 176717659
ethane;ethyl 5-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 145329445
ethyl 2-[4-(bromomethyl)phenyl]triazole-4-carboxylate
CID 23465186
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401
butane;ethane;ethyl 1-cyclohexyl-5-ethylpyrazole-3-carboxylate
CID 143116712
ethyl 5-arsanyl-1-cyclohexylpyrazole-4-carboxylate
CID 173179527
ethyl 2-(3-methoxypentan-3-yl)triazole-4-carboxylate
CID 141008948
ethyl 3-amino-1-cyclopentylpyrazole-4-carboxylate
CID 23113343

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclobutyltriazole-4-carboxylate?
The IUPAC name of ethyl 2-cyclobutyltriazole-4-carboxylate (CID 129164713) is ethyl 2-cyclobutyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclobutyltriazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclobutyltriazole-4-carboxylate is CCOC(=O)c1cnn(C2CCC2)n1.
What is the InChIKey of ethyl 2-cyclobutyltriazole-4-carboxylate?
The InChIKey is AZOQLXPQUQAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-2-14-9(13)8-6-10-12(11-8)7-4-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclobutyltriazole-4-carboxylate?
ethyl 2-cyclobutyltriazole-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclobutyltriazole-4-carboxylate is sourced from PubChem (CID 129164713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).