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

C9H15N2O5PS — CID 3042696

IUPAC5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
SMILESCCOP(=S)(OC)Oc1cnn(C)c(=O)c1OC
InChIInChI=1S/C9H15N2O5PS/c1-5-15-17(18,14-4)16-7-6-10-11(2)9(12)8(7)13-3/h6H,5H2,1-4H3
InChIKeyPYCPQDVNENMJOU-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.08
Rot. Bonds6

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

5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one (PubChem CID 3042696) has the molecular formula C9H15N2O5PS and a molecular weight of 294.27 g/mol. Its IUPAC name is 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
PubChem CID3042696
Molecular FormulaC9H15N2O5PS
Molecular Weight294.27 g/mol
Exact Mass294.04
IUPAC Name5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one
SMILESCCOP(=S)(OC)Oc1cnn(C)c(=O)c1OC
InChIInChI=1S/C9H15N2O5PS/c1-5-15-17(18,14-4)16-7-6-10-11(2)9(12)8(7)13-3/h6H,5H2,1-4H3
InChIKeyPYCPQDVNENMJOU-UHFFFAOYSA-N
XLogP1.08
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.08
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 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one?
The IUPAC name of 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one (CID 3042696) is 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one?
The canonical SMILES for 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one is CCOP(=S)(OC)Oc1cnn(C)c(=O)c1OC.
What is the InChIKey of 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one?
The InChIKey is PYCPQDVNENMJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O5PS/c1-5-15-17(18,14-4)16-7-6-10-11(2)9(12)8(7)13-3/h6H,5H2,1-4H3.
What are the key properties of 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one?
5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one has a molecular weight of 294.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(methoxy)phosphinothioyl]oxy-4-methoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 3042696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).