7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one

C7H9N3OS — CID 12946329

IUPAC7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one
SMILESCn1ncc2c(c1=O)SCCN2
InChIInChI=1S/C7H9N3OS/c1-10-7(11)6-5(4-9-10)8-2-3-12-6/h4,8H,2-3H2,1H3
InChIKeyHJKQFGIOVZIIMU-UHFFFAOYSA-N
MW183.24 g/mol
LogP0.30
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one

7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one (PubChem CID 12946329) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one
PubChem CID12946329
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one
SMILESCn1ncc2c(c1=O)SCCN2
InChIInChI=1S/C7H9N3OS/c1-10-7(11)6-5(4-9-10)8-2-3-12-6/h4,8H,2-3H2,1H3
InChIKeyHJKQFGIOVZIIMU-UHFFFAOYSA-N
XLogP0.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Bromo-5-(2-tert-butylsulfanylethylamino)-2-methylpyridazin-3-one
CID 75371149
5-chloro-4-(2-methylsulfanylethylamino)-1H-pyridazin-6-one
CID 78913348
5-Amino-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218236
5-Amino-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103218237
5-(Methylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218515
2-(2-Ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
5-(Ethylamino)-2-(2-methylsulfanylethyl)pyridazin-3-one
CID 103218925
5-(Ethylamino)-2-(2-ethylsulfanylethyl)pyridazin-3-one
CID 103218926
2-(2-Ethylsulfanylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219360
2-(2-Ethylsulfanylethyl)-5-(propylamino)pyridazin-3-one
CID 103220130
4-Chloro-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one
CID 114438264
4-Bromo-2-ethyl-5-(2-methylsulfanylethylamino)pyridazin-3-one
CID 114438281

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one?
The IUPAC name of 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one (CID 12946329) is 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one is Cn1ncc2c(c1=O)SCCN2.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one?
The InChIKey is HJKQFGIOVZIIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c1-10-7(11)6-5(4-9-10)8-2-3-12-6/h4,8H,2-3H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one?
7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one has a molecular weight of 183.24 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]thiazin-8-one is sourced from PubChem (CID 12946329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).