5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one

C6H7N3OS — CID 173078648

IUPAC5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one
SMILESO=C1CSC2N=NC=CC2N1
InChIInChI=1S/C6H7N3OS/c10-5-3-11-6-4(8-5)1-2-7-9-6/h1-2,4,6H,3H2,(H,8,10)
InChIKeyOJJNMUNZOLLRJM-UHFFFAOYSA-N
MW169.21 g/mol
LogP0.52
Rot. Bonds

About 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one

5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one (PubChem CID 173078648) has the molecular formula C6H7N3OS and a molecular weight of 169.21 g/mol. Its IUPAC name is 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one.

Molecular Properties

Compound Name5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one
PubChem CID173078648
Molecular FormulaC6H7N3OS
Molecular Weight169.21 g/mol
Exact Mass169.03
IUPAC Name5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one
SMILESO=C1CSC2N=NC=CC2N1
InChIInChI=1S/C6H7N3OS/c10-5-3-11-6-4(8-5)1-2-7-9-6/h1-2,4,6H,3H2,(H,8,10)
InChIKeyOJJNMUNZOLLRJM-UHFFFAOYSA-N
XLogP0.52
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one?
The IUPAC name of 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one (CID 173078648) is 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one.
What is the SMILES notation for 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one?
The canonical SMILES for 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one is O=C1CSC2N=NC=CC2N1.
What is the InChIKey of 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one?
The InChIKey is OJJNMUNZOLLRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS/c10-5-3-11-6-4(8-5)1-2-7-9-6/h1-2,4,6H,3H2,(H,8,10).
What are the key properties of 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one?
5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one has a molecular weight of 169.21 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8a-dihydro-4aH-pyridazino[3,4-b][1,4]thiazin-6-one is sourced from PubChem (CID 173078648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).