methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate

C10H13N3O3 — CID 70098790

IUPACmethyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C2CCCO2)cnc1N
InChIInChI=1S/C10H13N3O3/c1-15-10(14)8-9(11)12-5-6(13-8)7-3-2-4-16-7/h5,7H,2-4H2,1H3,(H2,11,12)
InChIKeyPLJXFHLMPFUMTF-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.70
Rot. Bonds2

About methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate

methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate (PubChem CID 70098790) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate
PubChem CID70098790
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(C2CCCO2)cnc1N
InChIInChI=1S/C10H13N3O3/c1-15-10(14)8-9(11)12-5-6(13-8)7-3-2-4-16-7/h5,7H,2-4H2,1H3,(H2,11,12)
InChIKeyPLJXFHLMPFUMTF-UHFFFAOYSA-N
XLogP0.70
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate (CID 70098790) is methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate is COC(=O)c1nc(C2CCCO2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate?
The InChIKey is PLJXFHLMPFUMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-15-10(14)8-9(11)12-5-6(13-8)7-3-2-4-16-7/h5,7H,2-4H2,1H3,(H2,11,12).
What are the key properties of methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate?
methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(oxolan-2-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 70098790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).