3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine

C36H27Cl6F6N15O3 — CID 163553705

About 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine

3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine (PubChem CID 163553705) has the molecular formula C36H27Cl6F6N15O3 and a molecular weight of 1044.42 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine.

Molecular Properties

• Compound Name: 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine
• PubChem CID: 163553705
• Molecular Formula: C36H27Cl6F6N15O3
• Molecular Weight: 1044.42 g/mol
• Exact Mass: 1041.05
• IUPAC Name: 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine
• SMILES: CNc1nnc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1Cl.CNc1nnc(C)cc1N.Cn1c(-c2nc(Cl)ccc2Cl)nc2cc(C(F)(F)F)nnc21.O=C(O)c1nc(Cl)ccc1Cl
• InChI: InChI=1S/C12H8Cl2F3N5O.C12H6Cl2F3N5.C6H3Cl2NO2.C6H10N4/c1-18-10-6(4-7(21-22-10)12(15,16)17)19-11(23)9-5(13)2-3-8(14)20-9;1-22-10-6(4-7(20-21-10)12(15,16)17)18-11(22)9-5(13)2-3-8(14)19-9;7-3-1-2-4(8)9-5(3)6(10)11;1-4-3-5(7)6(8-2)10-9-4/h2-4H,1H3,(H,18,22)(H,19,21,23);2-4H,1H3;1-2H,(H,10,11);3H,1-2H3,(H2,7,9)(H,8,10)
• InChIKey: FLGAZZBCUGNWDV-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 250.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.42
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine?

The IUPAC name of 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine (CID 163553705) is 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine.

What is the SMILES notation for 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine?

The canonical SMILES for 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine is CNc1nnc(C(F)(F)F)cc1NC(=O)c1nc(Cl)ccc1Cl.CNc1nnc(C)cc1N.Cn1c(-c2nc(Cl)ccc2Cl)nc2cc(C(F)(F)F)nnc21.O=C(O)c1nc(Cl)ccc1Cl.

What is the InChIKey of 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine?

The InChIKey is FLGAZZBCUGNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N5O.C12H6Cl2F3N5.C6H3Cl2NO2.C6H10N4/c1-18-10-6(4-7(21-22-10)12(15,16)17)19-11(23)9-5(13)2-3-8(14)20-9;1-22-10-6(4-7(20-21-10)12(15,16)17)18-11(22)9-5(13)2-3-8(14)19-9;7-3-1-2-4(8)9-5(3)6(10)11;1-4-3-5(7)6(8-2)10-9-4/h2-4H,1H3,(H,18,22)(H,19,21,23);2-4H,1H3;1-2H,(H,10,11);3H,1-2H3,(H2,7,9)(H,8,10).

What are the key properties of 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine?

3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine has a molecular weight of 1044.42 g/mol, XLogP of 9.74, 6 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dichloro-N-[3-(methylamino)-6-(trifluoromethyl)pyridazin-4-yl]pyridine-2-carboxamide;3,6-dichloropyridine-2-carboxylic acid;6-(3,6-dichloro-2-pyridinyl)-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine;3-N,6-dimethylpyridazine-3,4-diamine is sourced from PubChem (CID 163553705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).