dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate

C11H12N4O4S — CID 6424192

IUPACdimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate
SMILESCOC(=O)N1Cc2sc(N)c(C#N)c2CN1C(=O)OC
InChIInChI=1S/C11H12N4O4S/c1-18-10(16)14-4-7-6(3-12)9(13)20-8(7)5-15(14)11(17)19-2/h4-5,13H2,1-2H3
InChIKeyFYRSMZRPMPAFFD-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.27
Rot. Bonds

About dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate

dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate (PubChem CID 6424192) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate
PubChem CID6424192
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Namedimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate
SMILESCOC(=O)N1Cc2sc(N)c(C#N)c2CN1C(=O)OC
InChIInChI=1S/C11H12N4O4S/c1-18-10(16)14-4-7-6(3-12)9(13)20-8(7)5-15(14)11(17)19-2/h4-5,13H2,1-2H3
InChIKeyFYRSMZRPMPAFFD-UHFFFAOYSA-N
XLogP1.27
TPSA108.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate?
The IUPAC name of dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate (CID 6424192) is dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate is COC(=O)N1Cc2sc(N)c(C#N)c2CN1C(=O)OC.
What is the InChIKey of dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate?
The InChIKey is FYRSMZRPMPAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-18-10(16)14-4-7-6(3-12)9(13)20-8(7)5-15(14)11(17)19-2/h4-5,13H2,1-2H3.
What are the key properties of dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate?
dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate has a molecular weight of 296.31 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-amino-3-cyano-4,7-dihydrothieno[2,3-d]pyridazine-5,6-dicarboxylate is sourced from PubChem (CID 6424192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).