1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one

C7H11N2OS- — CID 59791655

IUPAC1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one
SMILESCN1[N-]CCC2SCC(=O)C21
InChIInChI=1S/C7H11N2OS/c1-9-7-5(10)4-11-6(7)2-3-8-9/h6-7H,2-4H2,1H3/q-1
InChIKeyODJUTZOPKVTWBM-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.66
Rot. Bonds

About 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one

1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one (PubChem CID 59791655) has the molecular formula C7H11N2OS- and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one.

Molecular Properties

Compound Name1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one
PubChem CID59791655
Molecular FormulaC7H11N2OS-
Molecular Weight171.24 g/mol
Exact Mass171.06
IUPAC Name1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one
SMILESCN1[N-]CCC2SCC(=O)C21
InChIInChI=1S/C7H11N2OS/c1-9-7-5(10)4-11-6(7)2-3-8-9/h6-7H,2-4H2,1H3/q-1
InChIKeyODJUTZOPKVTWBM-UHFFFAOYSA-N
XLogP0.66
TPSA34.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one?
The IUPAC name of 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one (CID 59791655) is 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one.
What is the SMILES notation for 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one?
The canonical SMILES for 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one is CN1[N-]CCC2SCC(=O)C21.
What is the InChIKey of 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one?
The InChIKey is ODJUTZOPKVTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2OS/c1-9-7-5(10)4-11-6(7)2-3-8-9/h6-7H,2-4H2,1H3/q-1.
What are the key properties of 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one?
1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one has a molecular weight of 171.24 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4,4a,7a-tetrahydrothieno[3,2-c]pyridazin-2-id-7-one is sourced from PubChem (CID 59791655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).