4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

C69H70Cl6N14O6 — CID 164968432

About 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (PubChem CID 164968432) has the molecular formula C69H70Cl6N14O6 and a molecular weight of 1404.13 g/mol. Its IUPAC name is 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

• Compound Name: 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
• PubChem CID: 164968432
• Molecular Formula: C69H70Cl6N14O6
• Molecular Weight: 1404.13 g/mol
• Exact Mass: 1400.37
• IUPAC Name: 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
• SMILES: Clc1ccc(-c2nnc(CC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(CC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(CC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(Cl)c2cnccc12.NC[C@@H]1CCCO1.ON(O)c1ccc(Cl)cc1
• InChI: InChI=1S/2C19H18ClN3O.C13H14ClN3O.C7H3Cl2N3.C6H6ClNO2.C5H11NO/c20-14-5-3-13(4-6-14)19-16-9-10-21-12-17(16)18(22-23-19)8-7-15-2-1-11-24-15;20-14-5-3-13(4-6-14)19-17-12-21-10-9-16(17)18(22-23-19)8-7-15-2-1-11-24-15;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;8-6-4-1-2-10-3-5(4)7(9)12-11-6;7-5-1-3-6(4-2-5)8(9)10;6-4-5-2-1-3-7-5/h2*3-6,9-10,12,15H,1-2,7-8,11H2;5-6,8-9H,1-4,7H2;1-3H;1-4,9-10H;5H,1-4,6H2/t2*15-;9-;;;5-/m000..0/s1
• InChIKey: CUFBGKRGMYZYPX-CIPUJUCWSA-N
• XLogP: 16.08
• TPSA: 261.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1404.13
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

The IUPAC name of 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (CID 164968432) is 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine.

What is the SMILES notation for 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

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

What is the InChIKey of 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

The InChIKey is CUFBGKRGMYZYPX-CIPUJUCWSA-N. The full InChI is InChI=1S/2C19H18ClN3O.C13H14ClN3O.C7H3Cl2N3.C6H6ClNO2.C5H11NO/c20-14-5-3-13(4-6-14)19-16-9-10-21-12-17(16)18(22-23-19)8-7-15-2-1-11-24-15;20-14-5-3-13(4-6-14)19-17-12-21-10-9-16(17)18(22-23-19)8-7-15-2-1-11-24-15;14-13-11-8-15-6-5-10(11)12(16-17-13)4-3-9-2-1-7-18-9;8-6-4-1-2-10-3-5(4)7(9)12-11-6;7-5-1-3-6(4-2-5)8(9)10;6-4-5-2-1-3-7-5/h2*3-6,9-10,12,15H,1-2,7-8,11H2;5-6,8-9H,1-4,7H2;1-3H;1-4,9-10H;5H,1-4,6H2/t2*15-;9-;;;5-/m000..0/s1.

What are the key properties of 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine has a molecular weight of 1404.13 g/mol, XLogP of 16.08, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N,N-dihydroxyaniline;4-chloro-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1-(4-chlorophenyl)-4-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;4-(4-chlorophenyl)-1-[2-[(2R)-oxolan-2-yl]ethyl]pyrido[3,4-d]pyridazine;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 164968432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).