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

C66H66BCl5N16O6 — CID 167654123

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-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 (PubChem CID 167654123) has the molecular formula C66H66BCl5N16O6 and a molecular weight of 1367.44 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.

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
• PubChem CID: 167654123
• Molecular Formula: C66H66BCl5N16O6
• Molecular Weight: 1367.44 g/mol
• Exact Mass: 1364.39
• 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
• SMILES: Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(NC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(NC[C@@H]2CCCO2)c2cnccc12.OB(O)c1ccc(Cl)cc1
• InChI: InChI=1S/2C18H17ClN4O.2C12H13ClN4O.C6H6BClO2/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;8-6-3-1-5(2-4-6)7(9)10/h2*3-8,11,14H,1-2,9-10H2,(H,21,23);2*3-4,7-8H,1-2,5-6H2,(H,15,17);1-4,9-10H/t2*14-;2*8-;/m0000./s1
• InChIKey: QZROLFQMNXQLLG-FHAYPAQPSA-N
• XLogP: 12.43
• TPSA: 280.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1367.44
LogP ≤ 5	12.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

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?

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 (CID 167654123) 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.

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?

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 is Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3ccncc23)cc1.Clc1ccc(-c2nnc(NC[C@@H]3CCCO3)c3cnccc23)cc1.Clc1nnc(NC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(NC[C@@H]2CCCO2)c2cnccc12.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?

The InChIKey is QZROLFQMNXQLLG-FHAYPAQPSA-N. The full InChI is InChI=1S/2C18H17ClN4O.2C12H13ClN4O.C6H6BClO2/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;8-6-3-1-5(2-4-6)7(9)10/h2*3-8,11,14H,1-2,9-10H2,(H,21,23);2*3-4,7-8H,1-2,5-6H2,(H,15,17);1-4,9-10H/t2*14-;2*8-;/m0000./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-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 has a molecular weight of 1367.44 g/mol, XLogP of 12.43, 15 rotatable bonds, 6 hydrogen bond donors, and 22 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 is sourced from PubChem (CID 167654123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).