2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone

C21H20N4O2S — CID 660184

IUPAC2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C21H20N4O2S/c26-18(25-11-13-27-14-12-25)15-28-21-22-19(16-7-3-1-4-8-16)20(23-24-21)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGLRZPKJYKHWUEK-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.16
Rot. Bonds5

About 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone

2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 660184) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID660184
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C21H20N4O2S/c26-18(25-11-13-27-14-12-25)15-28-21-22-19(16-7-3-1-4-8-16)20(23-24-21)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGLRZPKJYKHWUEK-UHFFFAOYSA-N
XLogP3.16
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 660184) is 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone is O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is GLRZPKJYKHWUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c26-18(25-11-13-27-14-12-25)15-28-21-22-19(16-7-3-1-4-8-16)20(23-24-21)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 392.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 660184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).