6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione

C32H26Cl4N14O8 — CID 164965311

About 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione

6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione (PubChem CID 164965311) has the molecular formula C32H26Cl4N14O8 and a molecular weight of 876.46 g/mol. Its IUPAC name is 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

• Compound Name: 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione
• PubChem CID: 164965311
• Molecular Formula: C32H26Cl4N14O8
• Molecular Weight: 876.46 g/mol
• Exact Mass: 874.08
• IUPAC Name: 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione
• SMILES: C[C@@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)nc3Cl)n[nH]c(=O)c21.C[C@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)nc3Cl)n[nH]c(=O)c21
• InChI: InChI=1S/2C16H13Cl2N7O4/c2*1-5-2-3-6-9(5)13(26)22-23-15(6)29-10-7(17)4-8(20-11(10)18)25-16(28)21-14(27)12(19)24-25/h2*4-5H,2-3H2,1H3,(H2,19,24)(H,22,26)(H,21,27,28)/t2*5-/m10/s1
• InChIKey: CKCSXYVDEMOMJT-JZLFTLSWSA-N
• XLogP: 2.26
• TPSA: 323.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	876.46
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione?

The IUPAC name of 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione (CID 164965311) is 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione.

What is the SMILES notation for 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione?

The canonical SMILES for 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione is C[C@@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)nc3Cl)n[nH]c(=O)c21.C[C@H]1CCc2c(Oc3c(Cl)cc(-n4nc(N)c(=O)[nH]c4=O)nc3Cl)n[nH]c(=O)c21.

What is the InChIKey of 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione?

The InChIKey is CKCSXYVDEMOMJT-JZLFTLSWSA-N. The full InChI is InChI=1S/2C16H13Cl2N7O4/c2*1-5-2-3-6-9(5)13(26)22-23-15(6)29-10-7(17)4-8(20-11(10)18)25-16(28)21-14(27)12(19)24-25/h2*4-5H,2-3H2,1H3,(H2,19,24)(H,22,26)(H,21,27,28)/t2*5-/m10/s1.

What are the key properties of 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione?

6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione has a molecular weight of 876.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[4,6-dichloro-5-[[(7S)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione;6-amino-2-[4,6-dichloro-5-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]-2-pyridinyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 164965311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).