2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine

C36H44N16O2 — CID 160740144

About 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine

2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine (PubChem CID 160740144) has the molecular formula C36H44N16O2 and a molecular weight of 732.86 g/mol. Its IUPAC name is 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine.

Molecular Properties

• Compound Name: 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
• PubChem CID: 160740144
• Molecular Formula: C36H44N16O2
• Molecular Weight: 732.86 g/mol
• Exact Mass: 732.38
• IUPAC Name: 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine
• SMILES: Cc1cccnn1.Cc1ccco1.Cc1ccncn1.Cc1ccon1.Cc1cnccn1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1
• InChI: InChI=1S/3C5H6N2.C5H6O.3C4H5N3.C4H5NO/c1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-5-2-3-6-7-4;1-4-2-3-6-5-4/h3*2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-3H,1H3
• InChIKey: RVLUQTWDTVAOOR-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 232.52 Ų
• H-Bond Acceptors: 18
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	732.86
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?

The IUPAC name of 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine (CID 160740144) is 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine.

What is the SMILES notation for 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?

The canonical SMILES for 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine is Cc1cccnn1.Cc1ccco1.Cc1ccncn1.Cc1ccon1.Cc1cnccn1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1.

What is the InChIKey of 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?

The InChIKey is RVLUQTWDTVAOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6N2.C5H6O.3C4H5N3.C4H5NO/c1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-3-2-4-6-7-5;1-5-3-2-4-6-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-5-2-3-6-7-4;1-4-2-3-6-5-4/h3*2-4H,1H3;2-4H,1H3;3*2-3H,1H3;2-3H,1H3.

What are the key properties of 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine?

2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine has a molecular weight of 732.86 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylfuran;3-methyl-1,2-oxazole;2-methylpyrazine;3-methylpyridazine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine is sourced from PubChem (CID 160740144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).