2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one

C10H11BrN2OS — CID 69363852

IUPAC2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one
SMILESCC(C)c1nn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C10H11BrN2OS/c1-5(2)8-9-6(4-7(11)15-9)10(14)13(3)12-8/h4-5H,1-3H3
InChIKeyVTMTVIJMPNXGNY-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.88
Rot. Bonds1

About 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one

2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 69363852) has the molecular formula C10H11BrN2OS and a molecular weight of 287.18 g/mol. Its IUPAC name is 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one
PubChem CID69363852
Molecular FormulaC10H11BrN2OS
Molecular Weight287.18 g/mol
Exact Mass285.98
IUPAC Name2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one
SMILESCC(C)c1nn(C)c(=O)c2cc(Br)sc12
InChIInChI=1S/C10H11BrN2OS/c1-5(2)8-9-6(4-7(11)15-9)10(14)13(3)12-8/h4-5H,1-3H3
InChIKeyVTMTVIJMPNXGNY-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one (CID 69363852) is 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one is CC(C)c1nn(C)c(=O)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is VTMTVIJMPNXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS/c1-5(2)8-9-6(4-7(11)15-9)10(14)13(3)12-8/h4-5H,1-3H3.
What are the key properties of 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one?
2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 287.18 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 69363852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).