oxetan-3-yl pyrazine-2-carboxylate

C8H8N2O3 — CID 130693172

IUPACoxetan-3-yl pyrazine-2-carboxylate
SMILESO=C(OC1COC1)c1cnccn1
InChIInChI=1S/C8H8N2O3/c11-8(13-6-4-12-5-6)7-3-9-1-2-10-7/h1-3,6H,4-5H2
InChIKeyDLIQLUKBGZVYAS-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.03
Rot. Bonds2

About oxetan-3-yl pyrazine-2-carboxylate

oxetan-3-yl pyrazine-2-carboxylate (PubChem CID 130693172) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is oxetan-3-yl pyrazine-2-carboxylate.

Molecular Properties

Compound Nameoxetan-3-yl pyrazine-2-carboxylate
PubChem CID130693172
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Nameoxetan-3-yl pyrazine-2-carboxylate
SMILESO=C(OC1COC1)c1cnccn1
InChIInChI=1S/C8H8N2O3/c11-8(13-6-4-12-5-6)7-3-9-1-2-10-7/h1-3,6H,4-5H2
InChIKeyDLIQLUKBGZVYAS-UHFFFAOYSA-N
XLogP0.03
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

amino pyrazine-2-carboxylate
CID 67878279
silyl pyrazine-2-carboxylate
CID 137330489
oxetan-3-yl 1H-imidazole-5-carboxylate
CID 67548118
trifluoromethyl pyrazine-2-carboxylate
CID 142296960
propan-2-yl pyrazine-2-carboxylate
CID 3022328
[tert-butyl(dimethyl)silyl] pyrazine-2-carboxylate
CID 91727571
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
pyrazine-2-carbonyl pyridazine-4-carboxylate
CID 175205992
2,3-dihydro-1,4-benzodioxin-3-yl(pyrazin-2-yl)methanone
CID 65351120
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
pyrazine-2-carbothioic S-acid
CID 87249006

Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl pyrazine-2-carboxylate?
The IUPAC name of oxetan-3-yl pyrazine-2-carboxylate (CID 130693172) is oxetan-3-yl pyrazine-2-carboxylate.
What is the SMILES notation for oxetan-3-yl pyrazine-2-carboxylate?
The canonical SMILES for oxetan-3-yl pyrazine-2-carboxylate is O=C(OC1COC1)c1cnccn1.
What is the InChIKey of oxetan-3-yl pyrazine-2-carboxylate?
The InChIKey is DLIQLUKBGZVYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c11-8(13-6-4-12-5-6)7-3-9-1-2-10-7/h1-3,6H,4-5H2.
What are the key properties of oxetan-3-yl pyrazine-2-carboxylate?
oxetan-3-yl pyrazine-2-carboxylate has a molecular weight of 180.16 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl pyrazine-2-carboxylate is sourced from PubChem (CID 130693172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).