9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one

C12H11FN2OS — CID 14098686

IUPAC9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one
SMILESCN1N=C2c3cc(F)ccc3SCC2CC1=O
InChIInChI=1S/C12H11FN2OS/c1-15-11(16)4-7-6-17-10-3-2-8(13)5-9(10)12(7)14-15/h2-3,5,7H,4,6H2,1H3
InChIKeyYIOGEKOTPNEPJA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.11
Rot. Bonds

About 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one

9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one (PubChem CID 14098686) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one
PubChem CID14098686
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one
SMILESCN1N=C2c3cc(F)ccc3SCC2CC1=O
InChIInChI=1S/C12H11FN2OS/c1-15-11(16)4-7-6-17-10-3-2-8(13)5-9(10)12(7)14-15/h2-3,5,7H,4,6H2,1H3
InChIKeyYIOGEKOTPNEPJA-UHFFFAOYSA-N
XLogP2.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one?
The IUPAC name of 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one (CID 14098686) is 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one.
What is the SMILES notation for 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one?
The canonical SMILES for 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one is CN1N=C2c3cc(F)ccc3SCC2CC1=O.
What is the InChIKey of 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one?
The InChIKey is YIOGEKOTPNEPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-15-11(16)4-7-6-17-10-3-2-8(13)5-9(10)12(7)14-15/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one?
9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one has a molecular weight of 250.30 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methyl-4a,5-dihydro-4H-thiochromeno[4,3-c]pyridazin-3-one is sourced from PubChem (CID 14098686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).