4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one

C11H19N2O5PS — CID 3048934

IUPAC4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one
SMILESCCOP(=S)(Oc1c(OC)cnn(C)c1=O)OC(C)C
InChIInChI=1S/C11H19N2O5PS/c1-6-16-19(20,17-8(2)3)18-10-9(15-5)7-12-13(4)11(10)14/h7-8H,6H2,1-5H3
InChIKeyWZEIGOYBPWFEHF-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.85
Rot. Bonds7

About 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one

4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one (PubChem CID 3048934) has the molecular formula C11H19N2O5PS and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one
PubChem CID3048934
Molecular FormulaC11H19N2O5PS
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one
SMILESCCOP(=S)(Oc1c(OC)cnn(C)c1=O)OC(C)C
InChIInChI=1S/C11H19N2O5PS/c1-6-16-19(20,17-8(2)3)18-10-9(15-5)7-12-13(4)11(10)14/h7-8H,6H2,1-5H3
InChIKeyWZEIGOYBPWFEHF-UHFFFAOYSA-N
XLogP1.85
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one (CID 3048934) is 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one is CCOP(=S)(Oc1c(OC)cnn(C)c1=O)OC(C)C.
What is the InChIKey of 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one?
The InChIKey is WZEIGOYBPWFEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O5PS/c1-6-16-19(20,17-8(2)3)18-10-9(15-5)7-12-13(4)11(10)14/h7-8H,6H2,1-5H3.
What are the key properties of 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one?
4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one has a molecular weight of 322.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-5-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 3048934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).