2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine

C21H25N2O3P — CID 11850908

IUPAC2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine
SMILESCCOP(=O)(OCC)C1NC(c2ccccc2)=C(c2ccccc2)N=C1C
InChIInChI=1S/C21H25N2O3P/c1-4-25-27(24,26-5-2)21-16(3)22-19(17-12-8-6-9-13-17)20(23-21)18-14-10-7-11-15-18/h6-15,21,23H,4-5H2,1-3H3
InChIKeyMKEBYUKZWBUSGY-UHFFFAOYSA-N
MW384.42 g/mol
LogP5.17
Rot. Bonds7

About 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine

2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine (PubChem CID 11850908) has the molecular formula C21H25N2O3P and a molecular weight of 384.42 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine
PubChem CID11850908
Molecular FormulaC21H25N2O3P
Molecular Weight384.42 g/mol
Exact Mass384.16
IUPAC Name2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine
SMILESCCOP(=O)(OCC)C1NC(c2ccccc2)=C(c2ccccc2)N=C1C
InChIInChI=1S/C21H25N2O3P/c1-4-25-27(24,26-5-2)21-16(3)22-19(17-12-8-6-9-13-17)20(23-21)18-14-10-7-11-15-18/h6-15,21,23H,4-5H2,1-3H3
InChIKeyMKEBYUKZWBUSGY-UHFFFAOYSA-N
XLogP5.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.42
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine 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

2,5-bis(diethoxyphosphoryl)-3,6-diphenyl-2,5-dihydropyrazine
CID 102245838
5-diethoxyphosphoryl-6-methyl-3-phenyl-5H-thieno[2,3-b]pyridin-4-one
CID 102502025
(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
4-diethoxyphosphoryl-2,6-diphenyl-4H-thiopyran
CID 12604720
(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
CID 11398376
5-diethoxyphosphoryl-4-phenyl-5H-oxathiazole 2,2-dioxide
CID 122210329
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495
ethyl (4S)-4-methyl-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 829422
2-diethoxyphosphoryl-1-phenylpyrrolidine
CID 134967267
1-diethoxyphosphoryl-4-phenylbenzene
CID 12670613
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
2-O-ethyl 3-O,4-O-dimethyl 5-phenyl-2,3-dihydro-1H-pyrrole-2,3,4-tricarboxylate
CID 11845724

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine?
The IUPAC name of 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine (CID 11850908) is 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine.
What is the SMILES notation for 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine?
The canonical SMILES for 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine is CCOP(=O)(OCC)C1NC(c2ccccc2)=C(c2ccccc2)N=C1C.
What is the InChIKey of 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine?
The InChIKey is MKEBYUKZWBUSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N2O3P/c1-4-25-27(24,26-5-2)21-16(3)22-19(17-12-8-6-9-13-17)20(23-21)18-14-10-7-11-15-18/h6-15,21,23H,4-5H2,1-3H3.
What are the key properties of 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine?
2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine has a molecular weight of 384.42 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-3-methyl-5,6-diphenyl-1,2-dihydropyrazine is sourced from PubChem (CID 11850908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).