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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine

C36H40Cl4N12O3 — CID 167557952

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;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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (PubChem CID 167557952) has the molecular formula C36H40Cl4N12O3 and a molecular weight of 830.61 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;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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
• PubChem CID: 167557952
• Molecular Formula: C36H40Cl4N12O3
• Molecular Weight: 830.61 g/mol
• Exact Mass: 828.21
• 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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine
• SMILES: Clc1nnc(Cl)c2cnccc12.Clc1nnc(NC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(NC[C@@H]2CCCO2)c2cnccc12.NC[C@@H]1CCCO1
• InChI: InChI=1S/2C12H13ClN4O.C7H3Cl2N3.C5H11NO/c13-11-10-7-14-4-3-9(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;6-4-5-2-1-3-7-5/h2*3-4,7-8H,1-2,5-6H2,(H,15,17);1-3H;5H,1-4,6H2/t2*8-;;5-/m00.0/s1
• InChIKey: DGLNNLHUQUOSEH-QOEYNGSLSA-N
• XLogP: 6.99
• TPSA: 193.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	830.61
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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;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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine (CID 167557952) 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;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;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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is Clc1nnc(Cl)c2cnccc12.Clc1nnc(NC[C@@H]2CCCO2)c2ccncc12.Clc1nnc(NC[C@@H]2CCCO2)c2cnccc12.NC[C@@H]1CCCO1.

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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine?

The InChIKey is DGLNNLHUQUOSEH-QOEYNGSLSA-N. The full InChI is InChI=1S/2C12H13ClN4O.C7H3Cl2N3.C5H11NO/c13-11-10-7-14-4-3-9(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;6-4-5-2-1-3-7-5/h2*3-4,7-8H,1-2,5-6H2,(H,15,17);1-3H;5H,1-4,6H2/t2*8-;;5-/m00.0/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;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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine has a molecular weight of 830.61 g/mol, XLogP of 6.99, 7 rotatable bonds, 3 hydrogen bond donors, and 15 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;1,4-dichloropyrido[3,4-d]pyridazine;[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 167557952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).