3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C16H20N6O2 — CID 166265388

About 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 166265388) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

• Compound Name: 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
• PubChem CID: 166265388
• Molecular Formula: C16H20N6O2
• Molecular Weight: 328.38 g/mol
• Exact Mass: 328.16
• IUPAC Name: 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one
• SMILES: COc1cc(C)nc(CN(C)Cc2nnc3c(=O)n(C)ccn23)c1
• InChI: InChI=1S/C16H20N6O2/c1-11-7-13(24-4)8-12(17-11)9-20(2)10-14-18-19-15-16(23)21(3)5-6-22(14)15/h5-8H,9-10H2,1-4H3
• InChIKey: KGKGDVNDOBFTTA-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 77.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.38
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

The IUPAC name of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 166265388) is 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

What is the SMILES notation for 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

The canonical SMILES for 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is COc1cc(C)nc(CN(C)Cc2nnc3c(=O)n(C)ccn23)c1.

What is the InChIKey of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

The InChIKey is KGKGDVNDOBFTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-11-7-13(24-4)8-12(17-11)9-20(2)10-14-18-19-15-16(23)21(3)5-6-22(14)15/h5-8H,9-10H2,1-4H3.

What are the key properties of 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one?

3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 328.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]methyl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 166265388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).