5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide

C13H18N4OS2 — CID 115988062

IUPAC5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCSCCN(C)C(=O)c1sc2nnc(C)c(C)c2c1N
InChIInChI=1S/C13H18N4OS2/c1-7-8(2)15-16-12-9(7)10(14)11(20-12)13(18)17(3)5-6-19-4/h5-6,14H2,1-4H3
InChIKeyDHRTVLBINRGWNK-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.33
Rot. Bonds4

About 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 115988062) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID115988062
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCSCCN(C)C(=O)c1sc2nnc(C)c(C)c2c1N
InChIInChI=1S/C13H18N4OS2/c1-7-8(2)15-16-12-9(7)10(14)11(20-12)13(18)17(3)5-6-19-4/h5-6,14H2,1-4H3
InChIKeyDHRTVLBINRGWNK-UHFFFAOYSA-N
XLogP2.33
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 115988062) is 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide is CSCCN(C)C(=O)c1sc2nnc(C)c(C)c2c1N.
What is the InChIKey of 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is DHRTVLBINRGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-7-8(2)15-16-12-9(7)10(14)11(20-12)13(18)17(3)5-6-19-4/h5-6,14H2,1-4H3.
What are the key properties of 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 310.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,3,4-trimethyl-N-(2-methylsulfanylethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 115988062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).