ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate

C12H14N4O2 — CID 79471738

IUPACethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nnc3cnccn23)CCC1
InChIInChI=1S/C12H14N4O2/c1-2-18-11(17)12(4-3-5-12)10-15-14-9-8-13-6-7-16(9)10/h6-8H,2-5H2,1H3
InChIKeyBQHFNOOPRHLOLY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.11
Rot. Bonds3

About ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate

ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate (PubChem CID 79471738) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate
PubChem CID79471738
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Nameethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(c2nnc3cnccn23)CCC1
InChIInChI=1S/C12H14N4O2/c1-2-18-11(17)12(4-3-5-12)10-15-14-9-8-13-6-7-16(9)10/h6-8H,2-5H2,1H3
InChIKeyBQHFNOOPRHLOLY-UHFFFAOYSA-N
XLogP1.11
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate (CID 79471738) is ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate is CCOC(=O)C1(c2nnc3cnccn23)CCC1.
What is the InChIKey of ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate?
The InChIKey is BQHFNOOPRHLOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-11(17)12(4-3-5-12)10-15-14-9-8-13-6-7-16(9)10/h6-8H,2-5H2,1H3.
What are the key properties of ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate?
ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-([1,2,4]triazolo[4,3-a]pyrazin-3-yl)cyclobutane-1-carboxylate is sourced from PubChem (CID 79471738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).