5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one

C8H9N3OS — CID 70686375

IUPAC5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c(N)scc12
InChIInChI=1S/C8H9N3OS/c1-4-5-3-13-7(9)6(5)8(12)11(2)10-4/h3H,9H2,1-2H3
InChIKeyXCXDONBBGZFVKP-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.89
Rot. Bonds

About 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one

5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one (PubChem CID 70686375) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one
PubChem CID70686375
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(C)c(=O)c2c(N)scc12
InChIInChI=1S/C8H9N3OS/c1-4-5-3-13-7(9)6(5)8(12)11(2)10-4/h3H,9H2,1-2H3
InChIKeyXCXDONBBGZFVKP-UHFFFAOYSA-N
XLogP0.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one (CID 70686375) is 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one is Cc1nn(C)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one?
The InChIKey is XCXDONBBGZFVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-4-5-3-13-7(9)6(5)8(12)11(2)10-4/h3H,9H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one?
5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one has a molecular weight of 195.25 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 70686375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).