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

C23H24N4O2S — CID 6409291

IUPAC2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2nnc(SCC(=O)N3CCOCC3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(2)6-10-19)25-26-23(24-21)30-15-20(28)27-11-13-29-14-12-27/h3-10H,11-15H2,1-2H3
InChIKeyNCWPJPMFZWHWNZ-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.77
Rot. Bonds5

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

2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 6409291) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone
PubChem CID6409291
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1ccc(-c2nnc(SCC(=O)N3CCOCC3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H24N4O2S/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(2)6-10-19)25-26-23(24-21)30-15-20(28)27-11-13-29-14-12-27/h3-10H,11-15H2,1-2H3
InChIKeyNCWPJPMFZWHWNZ-UHFFFAOYSA-N
XLogP3.77
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)acetamide
CID 2816402
4-(5,6-Diphenyl-1,2,4-triazin-3-yl)morpholine
CID 2842253
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(oxolan-2-ylmethyl)propanamide
CID 6416725
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N,N-diethylacetamide
CID 6402754
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methoxyethyl)butanamide
CID 6415329
Ethyl 2-((5,6-diphenyl-1,2,4-triazin-3-yl)thio)acetate
CID 2789036
3-((2-Oxo-2-(1-piperidinyl)ethyl)thio)-5,6-diphenyl-1,2,4-triazine
CID 3129569
2-[(5,6-Diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 660184
1-(2,3-Dihydroindol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanone
CID 3146235
6-Benzyl-5,7-dimethyl-2-[(2-morpholin-4-yl-2-oxoethyl)thio][1,2,4]triazolo[1,5-a]pyrimidine
CID 3242420
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
CID 6407532
2-{[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl}-N-tert-butylacetamide
CID 6408758

Frequently Asked Questions

What is the IUPAC name of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone (CID 6409291) is 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone is Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is NCWPJPMFZWHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(2)6-10-19)25-26-23(24-21)30-15-20(28)27-11-13-29-14-12-27/h3-10H,11-15H2,1-2H3.
What are the key properties of 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone?
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 420.54 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 6409291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).