2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one

C7H7N3OS — CID 3444461

IUPAC2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)[nH]nc(C)c2s1
InChIInChI=1S/C7H7N3OS/c1-3-6-5(7(11)10-9-3)8-4(2)12-6/h1-2H3,(H,10,11)
InChIKeyGTXGWRSFORCVNW-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.00
Rot. Bonds

About 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one

2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 3444461) has the molecular formula C7H7N3OS and a molecular weight of 181.22 g/mol. Its IUPAC name is 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID3444461
Molecular FormulaC7H7N3OS
Molecular Weight181.22 g/mol
Exact Mass181.03
IUPAC Name2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESCc1nc2c(=O)[nH]nc(C)c2s1
InChIInChI=1S/C7H7N3OS/c1-3-6-5(7(11)10-9-3)8-4(2)12-6/h1-2H3,(H,10,11)
InChIKeyGTXGWRSFORCVNW-UHFFFAOYSA-N
XLogP1.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 3444461) is 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is Cc1nc2c(=O)[nH]nc(C)c2s1.
What is the InChIKey of 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is GTXGWRSFORCVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3OS/c1-3-6-5(7(11)10-9-3)8-4(2)12-6/h1-2H3,(H,10,11).
What are the key properties of 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 181.22 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5H-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 3444461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).