5H-thiochromeno[4,3-c]pyridazin-3-amine

C11H9N3S — CID 62783859

IUPAC5H-thiochromeno[4,3-c]pyridazin-3-amine
SMILESNc1cc2c(nn1)-c1ccccc1SC2
InChIInChI=1S/C11H9N3S/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2,(H2,12,13)
InChIKeyWJIBILBXIHELPD-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.33
Rot. Bonds

About 5H-thiochromeno[4,3-c]pyridazin-3-amine

5H-thiochromeno[4,3-c]pyridazin-3-amine (PubChem CID 62783859) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5H-thiochromeno[4,3-c]pyridazin-3-amine.

Molecular Properties

Compound Name5H-thiochromeno[4,3-c]pyridazin-3-amine
PubChem CID62783859
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name5H-thiochromeno[4,3-c]pyridazin-3-amine
SMILESNc1cc2c(nn1)-c1ccccc1SC2
InChIInChI=1S/C11H9N3S/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2,(H2,12,13)
InChIKeyWJIBILBXIHELPD-UHFFFAOYSA-N
XLogP2.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-thiochromeno[4,3-c]pyridazin-3-amine?
The IUPAC name of 5H-thiochromeno[4,3-c]pyridazin-3-amine (CID 62783859) is 5H-thiochromeno[4,3-c]pyridazin-3-amine.
What is the SMILES notation for 5H-thiochromeno[4,3-c]pyridazin-3-amine?
The canonical SMILES for 5H-thiochromeno[4,3-c]pyridazin-3-amine is Nc1cc2c(nn1)-c1ccccc1SC2.
What is the InChIKey of 5H-thiochromeno[4,3-c]pyridazin-3-amine?
The InChIKey is WJIBILBXIHELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-10-5-7-6-15-9-4-2-1-3-8(9)11(7)14-13-10/h1-5H,6H2,(H2,12,13).
What are the key properties of 5H-thiochromeno[4,3-c]pyridazin-3-amine?
5H-thiochromeno[4,3-c]pyridazin-3-amine has a molecular weight of 215.28 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thiochromeno[4,3-c]pyridazin-3-amine is sourced from PubChem (CID 62783859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).