7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one

C10H10FN3O — CID 153046640

IUPAC7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one
SMILESCCc1ccc2nc(C)c(F)c(=O)n2n1
InChIInChI=1S/C10H10FN3O/c1-3-7-4-5-8-12-6(2)9(11)10(15)14(8)13-7/h4-5H,3H2,1-2H3
InChIKeyVGSRUIIJKXAUGK-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.10
Rot. Bonds1

About 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one

7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one (PubChem CID 153046640) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one.

Molecular Properties

Compound Name7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one
PubChem CID153046640
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one
SMILESCCc1ccc2nc(C)c(F)c(=O)n2n1
InChIInChI=1S/C10H10FN3O/c1-3-7-4-5-8-12-6(2)9(11)10(15)14(8)13-7/h4-5H,3H2,1-2H3
InChIKeyVGSRUIIJKXAUGK-UHFFFAOYSA-N
XLogP1.10
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one?
The IUPAC name of 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one (CID 153046640) is 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one.
What is the SMILES notation for 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one?
The canonical SMILES for 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one is CCc1ccc2nc(C)c(F)c(=O)n2n1.
What is the InChIKey of 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one?
The InChIKey is VGSRUIIJKXAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-3-7-4-5-8-12-6(2)9(11)10(15)14(8)13-7/h4-5H,3H2,1-2H3.
What are the key properties of 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one?
7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one has a molecular weight of 207.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-fluoro-2-methylpyrimido[1,2-b]pyridazin-4-one is sourced from PubChem (CID 153046640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).