5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C20H16N6O2 — CID 11372179

About 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 11372179) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
• PubChem CID: 11372179
• Molecular Formula: C20H16N6O2
• Molecular Weight: 372.39 g/mol
• Exact Mass: 372.13
• IUPAC Name: 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
• SMILES: Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1
• InChI: InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3
• InChIKey: BJYKRVMKNGJKKZ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 91.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.39
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?

The IUPAC name of 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 11372179) is 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

What is the SMILES notation for 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?

The canonical SMILES for 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cc1cccc(COc2nn3c(-c4cc(C)on4)nnc3c3ccccc23)n1.

What is the InChIKey of 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?

The InChIKey is BJYKRVMKNGJKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3.

What are the key properties of 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?

5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 372.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[6-[(6-methyl-2-pyridinyl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 11372179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).