1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)

C170H191F2N43O4S2 — CID 162242451

About 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)

1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) (PubChem CID 162242451) has the molecular formula C170H191F2N43O4S2 and a molecular weight of 3002.82 g/mol. Its IUPAC name is 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine).

Molecular Properties

• Compound Name: 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)
• PubChem CID: 162242451
• Molecular Formula: C170H191F2N43O4S2
• Molecular Weight: 3002.82 g/mol
• Exact Mass: 3000.55
• IUPAC Name: 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)
• SMILES: C=C1C=CC(=O)N1C.Cc1cc(C)c(F)c(F)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)n1.Cc1ccc(C)nn1.Cc1cccc2cccnc12.Cc1cccc2nccnc12.Cc1cccc2nccnc12.Cc1ccnc(-c2ccccc2)n1.Cc1ccnc2cccnc12.Cc1ccnc2ncccc12.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C)nc(C)n1.Cc1nc(C)nc(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C16H13N3.C11H10N2.C10H9N.C9H8N2O.4C9H8N2.C8H8F2.C8H11N.C7H10N2.C7H9N.2C6H9N3.4C6H8N2.C6H7NO.2C4H6N2O.2C4H6N2S/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;2*1-7-3-2-4-8-9(7)11-6-5-10-8;1-5-3-6(2)8(10)7(9)4-5;1-6-4-7(2)9-8(3)5-6;1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;2*1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(8)7(5)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2-11H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3;4*2-6H,1H3;3-4H,1-2H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*1-3H3;4*3-4H,1-2H3;3-4H,1H2,2H3;4*1-2H3
• InChIKey: ZWWOTCYMSXGEHN-UHFFFAOYSA-N
• XLogP: 36.17
• TPSA: 601.11 Ų
• H-Bond Acceptors: 48
• Rotatable Bonds: 4
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3002.82
LogP ≤ 5	36.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)?

The IUPAC name of 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) (CID 162242451) is 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine).

What is the SMILES notation for 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)?

The canonical SMILES for 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) is C=C1C=CC(=O)N1C.Cc1cc(C)c(F)c(F)c1.Cc1cc(C)nc(C)c1.Cc1cc(C)nc(C)n1.Cc1ccc(C)nn1.Cc1cccc2cccnc12.Cc1cccc2nccnc12.Cc1cccc2nccnc12.Cc1ccnc(-c2ccccc2)n1.Cc1ccnc2cccnc12.Cc1ccnc2ncccc12.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cncc(C)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C)nc(C)n1.Cc1nc(C)nc(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)?

The InChIKey is ZWWOTCYMSXGEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3.C11H10N2.C10H9N.C9H8N2O.4C9H8N2.C8H8F2.C8H11N.C7H10N2.C7H9N.2C6H9N3.4C6H8N2.C6H7NO.2C4H6N2O.2C4H6N2S/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-7-8-12-11(13-9)10-5-3-2-4-6-10;1-8-4-2-5-9-6-3-7-11-10(8)9;1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;2*1-7-3-2-4-8-9(7)11-6-5-10-8;1-5-3-6(2)8(10)7(9)4-5;1-6-4-7(2)9-8(3)5-6;1-5-4-6(2)9-7(3)8-5;1-6-3-7(2)5-8-4-6;2*1-4-7-5(2)9-6(3)8-4;1-5-3-8-6(2)4-7-5;1-5-3-7-4-6(2)8-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5;1-5-3-4-6(8)7(5)2;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2-11H,1H3;2-8H,1H3;2-7H,1H3;2-6H,1H3;4*2-6H,1H3;3-4H,1-2H3;4-5H,1-3H3;4H,1-3H3;3-5H,1-2H3;2*1-3H3;4*3-4H,1-2H3;3-4H,1H2,2H3;4*1-2H3.

What are the key properties of 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine)?

1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) has a molecular weight of 3002.82 g/mol, XLogP of 36.17, 4 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-3,5-dimethylbenzene;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethylpyrazine;2,6-dimethylpyrazine;3,6-dimethylpyridazine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;1-methyl-5-methylidenepyrrol-2-one;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;4-methyl-2-phenylpyrimidine;8-methylquinoline;bis(5-methylquinoxaline);2,4,6-trimethylpyridine;2,4,6-trimethylpyrimidine;bis(2,4,6-trimethyl-1,3,5-triazine) is sourced from PubChem (CID 162242451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).