3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one

C36H46N16O6P+ — CID 158563339

About 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one

3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one (PubChem CID 158563339) has the molecular formula C36H46N16O6P+ and a molecular weight of 829.84 g/mol. Its IUPAC name is 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one.

Molecular Properties

• Compound Name: 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one
• PubChem CID: 158563339
• Molecular Formula: C36H46N16O6P+
• Molecular Weight: 829.84 g/mol
• Exact Mass: 829.35
• IUPAC Name: 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one
• SMILES: COn1nnc2cccnc2c1=O.O=c1c2ncccc2nnn1OCN1CCCC1.O=c1c2ncccc2nnn1O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
• InChI: InChI=1S/C18H27N7O2P.C11H13N5O2.C7H6N4O2/c26-18-17-16(8-7-9-19-17)20-21-25(18)27-28(22-10-1-2-11-22,23-12-3-4-13-23)24-14-5-6-15-24;17-11-10-9(4-3-5-12-10)13-14-16(11)18-8-15-6-1-2-7-15;1-13-11-7(12)6-5(9-10-11)3-2-4-8-6/h7-9H,1-6,10-15H2;3-5H,1-2,6-8H2;2-4H,1H3/q+1
• InChIKey: WJLUKOGBOQWNDG-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 222.66 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.84
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one?

The IUPAC name of 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one (CID 158563339) is 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one.

What is the SMILES notation for 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one?

The canonical SMILES for 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one is COn1nnc2cccnc2c1=O.O=c1c2ncccc2nnn1OCN1CCCC1.O=c1c2ncccc2nnn1O[P+](N1CCCC1)(N1CCCC1)N1CCCC1.

What is the InChIKey of 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one?

The InChIKey is WJLUKOGBOQWNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O2P.C11H13N5O2.C7H6N4O2/c26-18-17-16(8-7-9-19-17)20-21-25(18)27-28(22-10-1-2-11-22,23-12-3-4-13-23)24-14-5-6-15-24;17-11-10-9(4-3-5-12-10)13-14-16(11)18-8-15-6-1-2-7-15;1-13-11-7(12)6-5(9-10-11)3-2-4-8-6/h7-9H,1-6,10-15H2;3-5H,1-2,6-8H2;2-4H,1H3/q+1;;.

What are the key properties of 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one?

3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one has a molecular weight of 829.84 g/mol, XLogP of 0.49, 9 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one is sourced from PubChem (CID 158563339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).