1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

C78H80BCl7N20O7 — CID 167555562

About 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (PubChem CID 167555562) has the molecular formula C78H80BCl7N20O7 and a molecular weight of 1668.61 g/mol. Its IUPAC name is 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

• Compound Name: 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
• PubChem CID: 167555562
• Molecular Formula: C78H80BCl7N20O7
• Molecular Weight: 1668.61 g/mol
• Exact Mass: 1664.44
• IUPAC Name: 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
• SMILES: Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(Cl)c2cnccc12.Clc1nnc(NC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(NC[C@@H]2CCCO2)c2cnccc12.NC[C@@H]1CCCO1.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/2C18H17ClN4O.2C12H13ClN4O.C7H3Cl2N3.C6H6BClO2.C5H11NO/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14;19-13-5-3-12(4-6-13)17-15-7-8-20-11-16(15)18(23-22-17)21-10-14-2-1-9-24-14;13-11-10-7-14-4-3-9(10)12(17-16-11)15-6-8-2-1-5-18-8;13-11-9-3-4-14-7-10(9)12(17-16-11)15-6-8-2-1-5-18-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;8-6-3-1-5(2-4-6)7(9)10;6-4-5-2-1-3-7-5/h2*3-8,11,14H,1-2,9-10H2,(H,21,23);2*3-4,7-8H,1-2,5-6H2,(H,15,17);1-3H;1-4,9-10H;5H,1-4,6H2/t2*14-;2*8-;;;5-/m0000..0/s1
• InChIKey: CYSZZLZITQUEDO-LFPBCDQKSA-N
• XLogP: 14.89
• TPSA: 354.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1668.61
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

The IUPAC name of 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (CID 167555562) is 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine.

What is the SMILES notation for 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

The canonical SMILES for 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(Cl)c2cnccc12.Clc1nnc(NC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(NC[C@@H]2CCCO2)c2cnccc12.NC[C@@H]1CCCO1.OB(O)c1ccc(Cl)cc1.

What is the InChIKey of 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

The InChIKey is CYSZZLZITQUEDO-LFPBCDQKSA-N. The full InChI is InChI=1S/2C18H17ClN4O.2C12H13ClN4O.C7H3Cl2N3.C6H6BClO2.C5H11NO/c19-13-5-3-12(4-6-13)17-16-11-20-8-7-15(16)18(23-22-17)21-10-14-2-1-9-24-14;19-13-5-3-12(4-6-13)17-15-7-8-20-11-16(15)18(23-22-17)21-10-14-2-1-9-24-14;13-11-10-7-14-4-3-9(10)12(17-16-11)15-6-8-2-1-5-18-8;13-11-9-3-4-14-7-10(9)12(17-16-11)15-6-8-2-1-5-18-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;8-6-3-1-5(2-4-6)7(9)10;6-4-5-2-1-3-7-5/h2*3-8,11,14H,1-2,9-10H2,(H,21,23);2*3-4,7-8H,1-2,5-6H2,(H,15,17);1-3H;1-4,9-10H;5H,1-4,6H2/t2*14-;2*8-;;;5-/m0000..0/s1.

What are the key properties of 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine has a molecular weight of 1668.61 g/mol, XLogP of 14.89, 16 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;(4-chlorophenyl)boronic acid;1-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-1-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 167555562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).