(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid

C51H44Cl5N17O3 — CID 159377630

About (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid

(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid (PubChem CID 159377630) has the molecular formula C51H44Cl5N17O3 and a molecular weight of 1120.29 g/mol. Its IUPAC name is (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid.

Molecular Properties

• Compound Name: (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid
• PubChem CID: 159377630
• Molecular Formula: C51H44Cl5N17O3
• Molecular Weight: 1120.29 g/mol
• Exact Mass: 1117.23
• IUPAC Name: (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid
• SMILES: Clc1ccc(Cl)nn1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.NCc1ccc(Cl)nn1.NN.O=C(Cc1ccc2ncccc2c1)NCc1ccc(Cl)nn1.O=C(O)Cc1ccc2ncccc2c1
• InChI: InChI=1S/C16H13ClN4O.C15H10ClN5.C11H9NO2.C5H6ClN3.C4H2Cl2N2.H4N2/c17-15-6-4-13(20-21-15)10-19-16(22)9-11-3-5-14-12(8-11)2-1-7-18-14;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;6-5-2-1-4(3-7)8-9-5;5-3-1-2-4(6)8-7-3;1-2/h1-8H,9-10H2,(H,19,22);1-8H,9H2;1-6H,7H2,(H,13,14);1-2H,3,7H2;1-2H;1-2H2
• InChIKey: LKNBXRBOVMLFQF-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 303.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.29
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid?

The IUPAC name of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid (CID 159377630) is (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid.

What is the SMILES notation for (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid?

The canonical SMILES for (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid is Clc1ccc(Cl)nn1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.NCc1ccc(Cl)nn1.NN.O=C(Cc1ccc2ncccc2c1)NCc1ccc(Cl)nn1.O=C(O)Cc1ccc2ncccc2c1.

What is the InChIKey of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid?

The InChIKey is LKNBXRBOVMLFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O.C15H10ClN5.C11H9NO2.C5H6ClN3.C4H2Cl2N2.H4N2/c17-15-6-4-13(20-21-15)10-19-16(22)9-11-3-5-14-12(8-11)2-1-7-18-14;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;6-5-2-1-4(3-7)8-9-5;5-3-1-2-4(6)8-7-3;1-2/h1-8H,9-10H2,(H,19,22);1-8H,9H2;1-6H,7H2,(H,13,14);1-2H,3,7H2;1-2H;1-2H2.

What are the key properties of (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid?

(6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid has a molecular weight of 1120.29 g/mol, XLogP of 8.51, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloropyridazin-3-yl)methanamine;N-[(6-chloropyridazin-3-yl)methyl]-2-quinolin-6-ylacetamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;3,6-dichloropyridazine;hydrazine;2-quinolin-6-ylacetic acid is sourced from PubChem (CID 159377630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).