(5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C17H20N6O — CID 164698612

About (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 164698612) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

• Compound Name: (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
• PubChem CID: 164698612
• Molecular Formula: C17H20N6O
• Molecular Weight: 324.39 g/mol
• Exact Mass: 324.17
• IUPAC Name: (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
• SMILES: CCCN1Cc2nnc(-c3c(C)nc4ccccn34)n2[C@@H](C)C1=O
• InChI: InChI=1S/C17H20N6O/c1-4-8-21-10-14-19-20-16(23(14)12(3)17(21)24)15-11(2)18-13-7-5-6-9-22(13)15/h5-7,9,12H,4,8,10H2,1-3H3/t12-/m0/s1
• InChIKey: BTOJEDWGQPWKCU-LBPRGKRZSA-N
• XLogP: 2.21
• TPSA: 68.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.39
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

The IUPAC name of (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 164698612) is (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

What is the SMILES notation for (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

The canonical SMILES for (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(-c3c(C)nc4ccccn34)n2[C@@H](C)C1=O.

What is the InChIKey of (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

The InChIKey is BTOJEDWGQPWKCU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O/c1-4-8-21-10-14-19-20-16(23(14)12(3)17(21)24)15-11(2)18-13-7-5-6-9-22(13)15/h5-7,9,12H,4,8,10H2,1-3H3/t12-/m0/s1.

What are the key properties of (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?

(5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 324.39 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 164698612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).