methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate

C10H12N2O3 — CID 86715870

IUPACmethyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C10H12N2O3/c1-14-10(13)8-4-12-9(5-11-8)15-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyRHCWJGSISUEGRK-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.05
Rot. Bonds4

About methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate

methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate (PubChem CID 86715870) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate
PubChem CID86715870
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(OCC2CC2)cn1
InChIInChI=1S/C10H12N2O3/c1-14-10(13)8-4-12-9(5-11-8)15-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyRHCWJGSISUEGRK-UHFFFAOYSA-N
XLogP1.05
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate (CID 86715870) is methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate is COC(=O)c1cnc(OCC2CC2)cn1.
What is the InChIKey of methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate?
The InChIKey is RHCWJGSISUEGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-14-10(13)8-4-12-9(5-11-8)15-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate?
methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate has a molecular weight of 208.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylmethoxy)pyrazine-2-carboxylate is sourced from PubChem (CID 86715870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).