2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate

C13H12N4O4 — CID 167966285

IUPAC2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate
SMILESCOC(=O)c1nccnc1C(=O)OCc1ccc(C)nn1
InChIInChI=1S/C13H12N4O4/c1-8-3-4-9(17-16-8)7-21-13(19)11-10(12(18)20-2)14-5-6-15-11/h3-6H,7H2,1-2H3
InChIKeySYZMPQMFIPJEIW-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.72
Rot. Bonds4

About 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate

2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate (PubChem CID 167966285) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate
PubChem CID167966285
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate
SMILESCOC(=O)c1nccnc1C(=O)OCc1ccc(C)nn1
InChIInChI=1S/C13H12N4O4/c1-8-3-4-9(17-16-8)7-21-13(19)11-10(12(18)20-2)14-5-6-15-11/h3-6H,7H2,1-2H3
InChIKeySYZMPQMFIPJEIW-UHFFFAOYSA-N
XLogP0.72
TPSA104.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate?
The IUPAC name of 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate (CID 167966285) is 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate.
What is the SMILES notation for 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate?
The canonical SMILES for 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate is COC(=O)c1nccnc1C(=O)OCc1ccc(C)nn1.
What is the InChIKey of 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate?
The InChIKey is SYZMPQMFIPJEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-8-3-4-9(17-16-8)7-21-13(19)11-10(12(18)20-2)14-5-6-15-11/h3-6H,7H2,1-2H3.
What are the key properties of 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate?
2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate has a molecular weight of 288.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 3-O-[(6-methylpyridazin-3-yl)methyl] pyrazine-2,3-dicarboxylate is sourced from PubChem (CID 167966285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).