4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one

C15H21N4O7PS — CID 3055905

IUPAC4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one
SMILESCOc1c(OP(=S)(Oc2cnn(C)c(=O)c2OC)OC(C)C)cnn(C)c1=O
InChIInChI=1S/C15H21N4O7PS/c1-9(2)24-27(28,25-10-7-16-18(3)14(20)12(10)22-5)26-11-8-17-19(4)15(21)13(11)23-6/h7-9H,1-6H3
InChIKeyHSNVPFSPGRCJQP-UHFFFAOYSA-N
MW432.40 g/mol
LogP1.00
Rot. Bonds8

About 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one

4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one (PubChem CID 3055905) has the molecular formula C15H21N4O7PS and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one
PubChem CID3055905
Molecular FormulaC15H21N4O7PS
Molecular Weight432.40 g/mol
Exact Mass432.09
IUPAC Name4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one
SMILESCOc1c(OP(=S)(Oc2cnn(C)c(=O)c2OC)OC(C)C)cnn(C)c1=O
InChIInChI=1S/C15H21N4O7PS/c1-9(2)24-27(28,25-10-7-16-18(3)14(20)12(10)22-5)26-11-8-17-19(4)15(21)13(11)23-6/h7-9H,1-6H3
InChIKeyHSNVPFSPGRCJQP-UHFFFAOYSA-N
XLogP1.00
TPSA115.93 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one?
The IUPAC name of 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one (CID 3055905) is 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one is COc1c(OP(=S)(Oc2cnn(C)c(=O)c2OC)OC(C)C)cnn(C)c1=O.
What is the InChIKey of 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one?
The InChIKey is HSNVPFSPGRCJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N4O7PS/c1-9(2)24-27(28,25-10-7-16-18(3)14(20)12(10)22-5)26-11-8-17-19(4)15(21)13(11)23-6/h7-9H,1-6H3.
What are the key properties of 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one?
4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one has a molecular weight of 432.40 g/mol, XLogP of 1.00, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-[(5-methoxy-1-methyl-6-oxopyridazin-4-yl)oxy-propan-2-yloxyphosphinothioyl]oxy-2-methylpyridazin-3-one is sourced from PubChem (CID 3055905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).