[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

C20H19N7O — CID 164696498

About [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone

[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (PubChem CID 164696498) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.

Molecular Properties

• Compound Name: [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
• PubChem CID: 164696498
• Molecular Formula: C20H19N7O
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.17
• IUPAC Name: [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone
• SMILES: Cc1nnc2n1[C@H](Cc1ccccc1)CN(C(=O)c1cnc3cccnn13)C2
• InChI: InChI=1S/C20H19N7O/c1-14-23-24-19-13-25(12-16(26(14)19)10-15-6-3-2-4-7-15)20(28)17-11-21-18-8-5-9-22-27(17)18/h2-9,11,16H,10,12-13H2,1H3/t16-/m1/s1
• InChIKey: GIVMJLUXLNWZMX-MRXNPFEDSA-N
• XLogP: 2.07
• TPSA: 81.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?

The IUPAC name of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone (CID 164696498) is [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone.

What is the SMILES notation for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?

The canonical SMILES for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is Cc1nnc2n1[C@H](Cc1ccccc1)CN(C(=O)c1cnc3cccnn13)C2.

What is the InChIKey of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?

The InChIKey is GIVMJLUXLNWZMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N7O/c1-14-23-24-19-13-25(12-16(26(14)19)10-15-6-3-2-4-7-15)20(28)17-11-21-18-8-5-9-22-27(17)18/h2-9,11,16H,10,12-13H2,1H3/t16-/m1/s1.

What are the key properties of [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone?

[(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone has a molecular weight of 373.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-5-benzyl-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-imidazo[1,2-b]pyridazin-3-ylmethanone is sourced from PubChem (CID 164696498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).