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

C10H17N2O5PS — CID 3042697

IUPAC4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
SMILESCCCOP(=S)(OC)Oc1cnn(C)c(=O)c1OC
InChIInChI=1S/C10H17N2O5PS/c1-5-6-16-18(19,15-4)17-8-7-11-12(2)10(13)9(8)14-3/h7H,5-6H2,1-4H3
InChIKeyAHCNIHIYMJVWRR-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.47
Rot. Bonds7

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

4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one (PubChem CID 3042697) has the molecular formula C10H17N2O5PS and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
PubChem CID3042697
Molecular FormulaC10H17N2O5PS
Molecular Weight308.30 g/mol
Exact Mass308.06
IUPAC Name4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one
SMILESCCCOP(=S)(OC)Oc1cnn(C)c(=O)c1OC
InChIInChI=1S/C10H17N2O5PS/c1-5-6-16-18(19,15-4)17-8-7-11-12(2)10(13)9(8)14-3/h7H,5-6H2,1-4H3
InChIKeyAHCNIHIYMJVWRR-UHFFFAOYSA-N
XLogP1.47
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.47
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-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one?
The IUPAC name of 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one (CID 3042697) is 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one is CCCOP(=S)(OC)Oc1cnn(C)c(=O)c1OC.
What is the InChIKey of 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one?
The InChIKey is AHCNIHIYMJVWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O5PS/c1-5-6-16-18(19,15-4)17-8-7-11-12(2)10(13)9(8)14-3/h7H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one?
4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one has a molecular weight of 308.30 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[methoxy(propoxy)phosphinothioyl]oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 3042697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).