4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol

C36H38Cl4N10O5 — CID 167698981

About 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol

4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol (PubChem CID 167698981) has the molecular formula C36H38Cl4N10O5 and a molecular weight of 832.58 g/mol. Its IUPAC name is 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol.

Molecular Properties

• Compound Name: 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol
• PubChem CID: 167698981
• Molecular Formula: C36H38Cl4N10O5
• Molecular Weight: 832.58 g/mol
• Exact Mass: 830.18
• IUPAC Name: 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol
• SMILES: Clc1nnc(Cl)c2cnccc12.Clc1nnc(NC[C@H]2CCCO2)c2cnccc12.Clc1nnc(OC[C@H]2CCCO2)c2ccncc12.OC[C@H]1CCCO1
• InChI: InChI=1S/C12H13ClN4O.C12H12ClN3O2.C7H3Cl2N3.C5H10O2/c13-11-9-3-4-14-7-10(9)12(17-16-11)15-6-8-2-1-5-18-8;13-11-10-6-14-4-3-9(10)12(16-15-11)18-7-8-2-1-5-17-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h3-4,7-8H,1-2,5-6H2,(H,15,17);3-4,6,8H,1-2,5,7H2;1-3H;5-6H,1-4H2/t2*8-;;5-/m11.1/s1
• InChIKey: YCBNHHMUYWOYNB-NKMXWHNVSA-N
• XLogP: 6.99
• TPSA: 185.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.58
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?

The IUPAC name of 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol (CID 167698981) is 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol.

What is the SMILES notation for 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?

The canonical SMILES for 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol is Clc1nnc(Cl)c2cnccc12.Clc1nnc(NC[C@H]2CCCO2)c2cnccc12.Clc1nnc(OC[C@H]2CCCO2)c2ccncc12.OC[C@H]1CCCO1.

What is the InChIKey of 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?

The InChIKey is YCBNHHMUYWOYNB-NKMXWHNVSA-N. The full InChI is InChI=1S/C12H13ClN4O.C12H12ClN3O2.C7H3Cl2N3.C5H10O2/c13-11-9-3-4-14-7-10(9)12(17-16-11)15-6-8-2-1-5-18-8;13-11-10-6-14-4-3-9(10)12(16-15-11)18-7-8-2-1-5-17-8;8-6-4-1-2-10-3-5(4)7(9)12-11-6;6-4-5-2-1-3-7-5/h3-4,7-8H,1-2,5-6H2,(H,15,17);3-4,6,8H,1-2,5,7H2;1-3H;5-6H,1-4H2/t2*8-;;5-/m11.1/s1.

What are the key properties of 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol?

4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol has a molecular weight of 832.58 g/mol, XLogP of 6.99, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-[[(2R)-oxolan-2-yl]methoxy]pyrido[3,4-d]pyridazine;1-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyrido[3,4-d]pyridazin-4-amine;1,4-dichloropyrido[3,4-d]pyridazine;[(2R)-oxolan-2-yl]methanol is sourced from PubChem (CID 167698981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).