5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine

C25H23N3S — CID 7351661

IUPAC5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine
SMILESCc1ccc(-c2nnc(SCc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23N3S/c1-17-7-11-21(12-8-17)23-24(22-13-9-18(2)10-14-22)27-28-25(26-23)29-16-20-6-4-5-19(3)15-20/h4-15H,16H2,1-3H3
InChIKeyDPBMTXZBXPTULZ-UHFFFAOYSA-N
MW397.55 g/mol
LogP6.42
Rot. Bonds5

About 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine

5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine (PubChem CID 7351661) has the molecular formula C25H23N3S and a molecular weight of 397.55 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine
PubChem CID7351661
Molecular FormulaC25H23N3S
Molecular Weight397.55 g/mol
Exact Mass397.16
IUPAC Name5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine
SMILESCc1ccc(-c2nnc(SCc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H23N3S/c1-17-7-11-21(12-8-17)23-24(22-13-9-18(2)10-14-22)27-28-25(26-23)29-16-20-6-4-5-19(3)15-20/h4-15H,16H2,1-3H3
InChIKeyDPBMTXZBXPTULZ-UHFFFAOYSA-N
XLogP6.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine 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

1-(4-fluorophenyl)-4-[(3-methylphenyl)methylsulfanyl]phthalazine
CID 7239500
3-[2-(3-methylphenoxy)ethylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 7842661
3-[(4-fluorophenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 6406872
6-[(3-methylphenyl)methylsulfanyl]pyridin-2-amine
CID 80652578
3,4-bis(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 2048039
2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442
5-isocyano-4-(4-methylphenyl)-2-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 157250404
N-benzyl-2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-tert-butylacetamide
CID 6408935
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazole
CID 21013095
4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 46033960
2-chloro-4-[(3-methylphenyl)methylsulfanyl]pyrimidin-5-amine
CID 114044347
2-[[5,6-bis(4-methylphenyl)-1,2,4-triazin-3-yl]sulfanyl]-N-ethylacetamide
CID 6409463

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine?
The IUPAC name of 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine (CID 7351661) is 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine?
The canonical SMILES for 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine is Cc1ccc(-c2nnc(SCc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine?
The InChIKey is DPBMTXZBXPTULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3S/c1-17-7-11-21(12-8-17)23-24(22-13-9-18(2)10-14-22)27-28-25(26-23)29-16-20-6-4-5-19(3)15-20/h4-15H,16H2,1-3H3.
What are the key properties of 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine?
5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine has a molecular weight of 397.55 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methylphenyl)-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazine is sourced from PubChem (CID 7351661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).