3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine

C20H30N2O6P2 — CID 71493366

IUPAC3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine
SMILESCCOP(=O)(Cc1cc(-c2ccccc2)c(CP(=O)(OCC)OCC)nn1)OCC
InChIInChI=1S/C20H30N2O6P2/c1-5-25-29(23,26-6-2)15-18-14-19(17-12-10-9-11-13-17)20(22-21-18)16-30(24,27-7-3)28-8-4/h9-14H,5-8,15-16H2,1-4H3
InChIKeyCYRIIOBOCKDYBR-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.68
Rot. Bonds13

About 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine

3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine (PubChem CID 71493366) has the molecular formula C20H30N2O6P2 and a molecular weight of 456.42 g/mol. Its IUPAC name is 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine.

Molecular Properties

Compound Name3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine
PubChem CID71493366
Molecular FormulaC20H30N2O6P2
Molecular Weight456.42 g/mol
Exact Mass456.16
IUPAC Name3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine
SMILESCCOP(=O)(Cc1cc(-c2ccccc2)c(CP(=O)(OCC)OCC)nn1)OCC
InChIInChI=1S/C20H30N2O6P2/c1-5-25-29(23,26-6-2)15-18-14-19(17-12-10-9-11-13-17)20(22-21-18)16-30(24,27-7-3)28-8-4/h9-14H,5-8,15-16H2,1-4H3
InChIKeyCYRIIOBOCKDYBR-UHFFFAOYSA-N
XLogP5.68
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine with MolForge

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

Launch Full Analysis

Related Compounds

5-(diethoxyphosphorylmethyl)-3-phenyl-2-(trifluoromethyl)thiophene
CID 58020588
bis(2-(diethoxyphosphorylmethyl)pyridine);platinum(2+);dichloride;hydrate
CID 139065832
3,6-bis(chloromethyl)-4-phenylpyridazine
CID 71493199
2-(diethoxyphosphorylmethyl)-5-(2-fluorophenyl)pyridine
CID 59016132
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
CID 2763175
1-(diethoxyphosphorylmethyl)-4-phenyltriazole
CID 86196609
3-bromo-2-(diethoxyphosphorylmethyl)pyridine
CID 169218685
2-(diethoxyphosphorylmethyl)pyridine-3-carboxylate
CID 18414949
4-(diethoxyphosphorylmethyl)pyrimidine
CID 166731479
6-ethyl-N-methyl-5-phenylpyridazin-3-amine
CID 79008561
5-(diethoxyphosphorylmethyl)-N,N-diphenylpyridin-2-amine
CID 88888038
4,5-diphenyl-1H-pyrazole;triethyl phosphate
CID 175485113

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine?
The IUPAC name of 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine (CID 71493366) is 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine.
What is the SMILES notation for 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine?
The canonical SMILES for 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine is CCOP(=O)(Cc1cc(-c2ccccc2)c(CP(=O)(OCC)OCC)nn1)OCC.
What is the InChIKey of 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine?
The InChIKey is CYRIIOBOCKDYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6P2/c1-5-25-29(23,26-6-2)15-18-14-19(17-12-10-9-11-13-17)20(22-21-18)16-30(24,27-7-3)28-8-4/h9-14H,5-8,15-16H2,1-4H3.
What are the key properties of 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine?
3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine has a molecular weight of 456.42 g/mol, XLogP of 5.68, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(diethoxyphosphorylmethyl)-4-phenylpyridazine is sourced from PubChem (CID 71493366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).