methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate

C8H8N4O2 — CID 12625134

IUPACmethyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(C#N)nc1C
InChIInChI=1S/C8H8N4O2/c1-4-6(8(13)14-2)12-7(10)5(3-9)11-4/h1-2H3,(H2,10,12)
InChIKeyNDWYWNODYQVXRJ-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.03
Rot. Bonds1

About methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate

methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate (PubChem CID 12625134) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
PubChem CID12625134
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate
SMILESCOC(=O)c1nc(N)c(C#N)nc1C
InChIInChI=1S/C8H8N4O2/c1-4-6(8(13)14-2)12-7(10)5(3-9)11-4/h1-2H3,(H2,10,12)
InChIKeyNDWYWNODYQVXRJ-UHFFFAOYSA-N
XLogP0.03
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate (CID 12625134) is methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate is COC(=O)c1nc(N)c(C#N)nc1C.
What is the InChIKey of methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate?
The InChIKey is NDWYWNODYQVXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-4-6(8(13)14-2)12-7(10)5(3-9)11-4/h1-2H3,(H2,10,12).
What are the key properties of methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate?
methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-3-methylpyrazine-2-carboxylate is sourced from PubChem (CID 12625134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).