7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one

C7H7N3OS — CID 70682116

IUPAC7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one
SMILESCc1n[nH]c(=O)c2c(N)scc12
InChIInChI=1S/C7H7N3OS/c1-3-4-2-12-6(8)5(4)7(11)10-9-3/h2H,8H2,1H3,(H,10,11)
InChIKeyKMTSVFATLSZBCV-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.88
Rot. Bonds

About 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one

7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one (PubChem CID 70682116) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one
PubChem CID70682116
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one
SMILESCc1n[nH]c(=O)c2c(N)scc12
InChIInChI=1S/C7H7N3OS/c1-3-4-2-12-6(8)5(4)7(11)10-9-3/h2H,8H2,1H3,(H,10,11)
InChIKeyKMTSVFATLSZBCV-UHFFFAOYSA-N
XLogP0.88
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one?
The IUPAC name of 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one (CID 70682116) is 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one.
What is the SMILES notation for 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one?
The canonical SMILES for 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one is Cc1n[nH]c(=O)c2c(N)scc12.
What is the InChIKey of 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one?
The InChIKey is KMTSVFATLSZBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-4-2-12-6(8)5(4)7(11)10-9-3/h2H,8H2,1H3,(H,10,11).
What are the key properties of 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one?
7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one has a molecular weight of 181.22 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methyl-2H-thieno[3,4-d]pyridazin-1-one is sourced from PubChem (CID 70682116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).