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

C22H20N6O — CID 177068439

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

4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one (PubChem CID 177068439) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
• PubChem CID: 177068439
• Molecular Formula: C22H20N6O
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.17
• IUPAC Name: 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
• SMILES: O=c1cc(-c2nnc3n2CCN(C(c2ccccc2)c2cccnc2)C3)cc[nH]1
• InChI: InChI=1S/C22H20N6O/c29-20-13-17(8-10-24-20)22-26-25-19-15-27(11-12-28(19)22)21(16-5-2-1-3-6-16)18-7-4-9-23-14-18/h1-10,13-14,21H,11-12,15H2,(H,24,29)
• InChIKey: ALAAUGXEKDNIEX-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one (CID 177068439) is 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one.

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

The canonical SMILES for 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one is O=c1cc(-c2nnc3n2CCN(C(c2ccccc2)c2cccnc2)C3)cc[nH]1.

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

The InChIKey is ALAAUGXEKDNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-20-13-17(8-10-24-20)22-26-25-19-15-27(11-12-28(19)22)21(16-5-2-1-3-6-16)18-7-4-9-23-14-18/h1-10,13-14,21H,11-12,15H2,(H,24,29).

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

4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one has a molecular weight of 384.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[phenyl(pyridin-3-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 177068439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).