6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate

C55H65ClN24O9S2 — CID 159111871

About 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate

6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate (PubChem CID 159111871) has the molecular formula C55H65ClN24O9S2 and a molecular weight of 1305.87 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate.

Molecular Properties

• Compound Name: 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate
• PubChem CID: 159111871
• Molecular Formula: C55H65ClN24O9S2
• Molecular Weight: 1305.87 g/mol
• Exact Mass: 1304.45
• IUPAC Name: 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate
• SMILES: CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1S(C)(=O)=O.Cc1ccc(S(=O)(=O)O)cc1.Cn1ccc(N)n1.O
• InChI: InChI=1S/C16H18N8O3S.C16H18N8O.C12H12ClN5O.C7H8O3S.C4H7N3.H2O/c1-17-16(25)14-10(19-15-11(28(3,26)27)5-4-7-18-15)9-13(21-22-14)20-12-6-8-24(2)23-12;1-10-5-4-7-18-15(10)19-11-9-13(20-12-6-8-24(3)23-12)21-22-14(11)16(25)17-2;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-6-2-4-7(5-3-6)11(8,9)10;1-7-3-2-4(5)6-7;/h4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-5H,1H3,(H,8,9,10);2-3H,1H3,(H2,5,6);1H2
• InChIKey: LZNMMODKPHCTBK-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 462.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.87
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate?

The IUPAC name of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate (CID 159111871) is 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate.

What is the SMILES notation for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate?

The canonical SMILES for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate is CNC(=O)c1nnc(Cl)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1C.CNC(=O)c1nnc(Nc2ccn(C)n2)cc1Nc1ncccc1S(C)(=O)=O.Cc1ccc(S(=O)(=O)O)cc1.Cn1ccc(N)n1.O.

What is the InChIKey of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate?

The InChIKey is LZNMMODKPHCTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O3S.C16H18N8O.C12H12ClN5O.C7H8O3S.C4H7N3.H2O/c1-17-16(25)14-10(19-15-11(28(3,26)27)5-4-7-18-15)9-13(21-22-14)20-12-6-8-24(2)23-12;1-10-5-4-7-18-15(10)19-11-9-13(20-12-6-8-24(3)23-12)21-22-14(11)16(25)17-2;1-7-4-3-5-15-11(7)16-8-6-9(13)17-18-10(8)12(19)14-2;1-6-2-4-7(5-3-6)11(8,9)10;1-7-3-2-4(5)6-7;/h4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);4-9H,1-3H3,(H,17,25)(H2,18,19,20,21,23);3-6H,1-2H3,(H,14,19)(H,15,16,17);2-5H,1H3,(H,8,9,10);2-3H,1H3,(H2,5,6);1H2.

What are the key properties of 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate?

6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate has a molecular weight of 1305.87 g/mol, XLogP of 4.97, 15 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;4-methylbenzenesulfonic acid;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-methyl-6-[(1-methylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;1-methylpyrazol-3-amine;hydrate is sourced from PubChem (CID 159111871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).