6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine

C126H161Cl2F2N25O5S2 — CID 160965247

About 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine

6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine (PubChem CID 160965247) has the molecular formula C126H161Cl2F2N25O5S2 and a molecular weight of 2278.88 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine.

Molecular Properties

• Compound Name: 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine
• PubChem CID: 160965247
• Molecular Formula: C126H161Cl2F2N25O5S2
• Molecular Weight: 2278.88 g/mol
• Exact Mass: 2276.19
• IUPAC Name: 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine
• SMILES: C.C.C.C.CCN1CCc2ncc(C)nc2CC1.CCOCCOc1ccc(C)nn1.COc1cccc2c1nc(C)n2C.Cc1cc(Cl)n[nH]c1=O.Cc1cc2ccccc2cn1.Cc1ccc(C(C)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)nn1.Cc1ccc2nc(C)ccc2c1.Cc1cccnc1.Cc1ccncc1.Cc1ccnnc1N(C)C.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccccc2o1.Cc1nccs1
• InChI: InChI=1S/C11H17N3.C11H11N.C10H12N2O.C10H9N.C9H14N2O2.C8H6ClNS.C8H9F2N.C8H7NO.C7H11N3.C7H9N.2C6H8N2.2C6H7N.C5H5ClN2O.C4H5NS.4CH4/c1-3-14-6-4-10-11(5-7-14)13-9(2)8-12-10;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-11-10-8(12(7)2)5-4-6-9(10)13-3;1-8-6-9-4-2-3-5-10(9)7-11-8;1-3-12-6-7-13-9-5-4-8(2)10-11-9;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-3-4-7(5-11-6)8(2,9)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-5-8-9-7(6)10(2)3;1-6-3-4-7(2)8-5-6;2*1-5-3-4-6(2)8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-3-2-4(6)7-8-5(3)9;1-4-5-2-3-6-4;;;;/h8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2-7H,1H3;4-5H,3,6-7H2,1-2H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3;4-5H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;2*2-5H,1H3;2H,1H3,(H,8,9);2-3H,1H3;4*1H4
• InChIKey: SXNNPWFOGXALQD-UHFFFAOYSA-N
• XLogP: 29.83
• TPSA: 355.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 9
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.88
LogP ≤ 5	29.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine?

The IUPAC name of 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine (CID 160965247) is 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine.

What is the SMILES notation for 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine?

The canonical SMILES for 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine is C.C.C.C.CCN1CCc2ncc(C)nc2CC1.CCOCCOc1ccc(C)nn1.COc1cccc2c1nc(C)n2C.Cc1cc(Cl)n[nH]c1=O.Cc1cc2ccccc2cn1.Cc1ccc(C(C)(F)F)cn1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1ccc(C)nn1.Cc1ccc2nc(C)ccc2c1.Cc1cccnc1.Cc1ccncc1.Cc1ccnnc1N(C)C.Cc1nc2ccc(Cl)cc2s1.Cc1nc2ccccc2o1.Cc1nccs1.

What is the InChIKey of 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine?

The InChIKey is SXNNPWFOGXALQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C11H11N.C10H12N2O.C10H9N.C9H14N2O2.C8H6ClNS.C8H9F2N.C8H7NO.C7H11N3.C7H9N.2C6H8N2.2C6H7N.C5H5ClN2O.C4H5NS.4CH4/c1-3-14-6-4-10-11(5-7-14)13-9(2)8-12-10;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-7-11-10-8(12(7)2)5-4-6-9(10)13-3;1-8-6-9-4-2-3-5-10(9)7-11-8;1-3-12-6-7-13-9-5-4-8(2)10-11-9;1-5-10-7-3-2-6(9)4-8(7)11-5;1-6-3-4-7(5-11-6)8(2,9)10;1-6-9-7-4-2-3-5-8(7)10-6;1-6-4-5-8-9-7(6)10(2)3;1-6-3-4-7(2)8-5-6;2*1-5-3-4-6(2)8-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-3-2-4(6)7-8-5(3)9;1-4-5-2-3-6-4;;;;/h8H,3-7H2,1-2H3;3-7H,1-2H3;4-6H,1-3H3;2-7H,1H3;4-5H,3,6-7H2,1-2H3;2-4H,1H3;3-5H,1-2H3;2-5H,1H3;4-5H,1-3H3;3-5H,1-2H3;2*3-4H,1-2H3;2*2-5H,1H3;2H,1H3,(H,8,9);2-3H,1H3;4*1H4.

What are the key properties of 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine?

6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine has a molecular weight of 2278.88 g/mol, XLogP of 29.83, 9 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-methyl-1,3-benzothiazole;3-chloro-5-methyl-1H-pyridazin-6-one;5-(1,1-difluoroethyl)-2-methylpyridine;bis(3,6-dimethylpyridazine);2,5-dimethylpyridine;2,6-dimethylquinoline;3-(2-ethoxyethoxy)-6-methylpyridazine;7-ethyl-3-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepine;methane;4-methoxy-1,2-dimethylbenzimidazole;2-methyl-1,3-benzoxazole;3-methylisoquinoline;3-methylpyridine;4-methylpyridine;2-methyl-1,3-thiazole;N,N,4-trimethylpyridazin-3-amine is sourced from PubChem (CID 160965247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).