ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate

C12H16N2O3 — CID 90133833

IUPACethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(OCC2CCC2)cn1
InChIInChI=1S/C12H16N2O3/c1-2-16-12(15)10-6-14-11(7-13-10)17-8-9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyYXHVBHXNRFSDOU-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.83
Rot. Bonds5

About ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate

ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate (PubChem CID 90133833) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate
PubChem CID90133833
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate
SMILESCCOC(=O)c1cnc(OCC2CCC2)cn1
InChIInChI=1S/C12H16N2O3/c1-2-16-12(15)10-6-14-11(7-13-10)17-8-9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeyYXHVBHXNRFSDOU-UHFFFAOYSA-N
XLogP1.83
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 465070
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CID 86298568
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CID 21897336
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CID 57475875
CID 57475875
CID 64266379
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CID 66869685
CID 66869685
CID 66456467
CID 66456467
CID 57475677
CID 57475677
CID 57827325
CID 57827325
CID 57827340
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CID 57827374
CID 57827374

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate (CID 90133833) is ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate is CCOC(=O)c1cnc(OCC2CCC2)cn1.
What is the InChIKey of ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate?
The InChIKey is YXHVBHXNRFSDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-16-12(15)10-6-14-11(7-13-10)17-8-9-4-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate?
ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclobutylmethoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 90133833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).