ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate

C10H15N3O2 — CID 83232474

IUPACethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(C)n1C1CCC1
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)9-12-11-7(2)13(9)8-5-4-6-8/h8H,3-6H2,1-2H3
InChIKeyHDAUXYCOQJWECJ-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.49
Rot. Bonds3

About ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate

ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate (PubChem CID 83232474) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate
PubChem CID83232474
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate
SMILESCCOC(=O)c1nnc(C)n1C1CCC1
InChIInChI=1S/C10H15N3O2/c1-3-15-10(14)9-12-11-7(2)13(9)8-5-4-6-8/h8H,3-6H2,1-2H3
InChIKeyHDAUXYCOQJWECJ-UHFFFAOYSA-N
XLogP1.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-3-carboxylate
CID 63382492
ethyl 3-(methoxymethyl)-1-methyl-1H-1,2,4-triazole-5-carboxylate
CID 122163763
ethyl 4-cyclopropyl-5-methyl-4H-1,2,4-triazole-3-carboxylate
CID 63356106
1H-1,2,4-Triazole-5-carboxylic acid, 3-methyl-1-(1-methylethyl)-, ethyl ester
CID 58204754
ethyl 1-isopropyl-5-methyl-1 H-1,2,4-triazole-3-carboxylate
CID 159524986
ethyl 1-ethyl-5-methyl-1 H-1,2,4-triazole-3-carboxylate
CID 162787554
ethyl 1-ethyl-3-methyl-1 H-1,2,4-triazole-5-carboxylate
CID 162787555
Ethyl 5-methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole-3-carboxylate
CID 83231335
Ethyl 4-(2,2-difluoroethyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231345
Ethyl 5-methyl-4-(4,4,4-trifluorobutyl)-1,2,4-triazole-3-carboxylate
CID 83231532
Ethyl 5-methyl-4-(5,5,5-trifluoropentyl)-1,2,4-triazole-3-carboxylate
CID 83231692
Ethyl 5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylate
CID 83232126

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate?
The IUPAC name of ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate (CID 83232474) is ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate.
What is the SMILES notation for ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate?
The canonical SMILES for ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate is CCOC(=O)c1nnc(C)n1C1CCC1.
What is the InChIKey of ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate?
The InChIKey is HDAUXYCOQJWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-15-10(14)9-12-11-7(2)13(9)8-5-4-6-8/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate?
ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclobutyl-5-methyl-1,2,4-triazole-3-carboxylate is sourced from PubChem (CID 83232474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).