5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile

C19H16N6O — CID 164698579

About 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile

5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile (PubChem CID 164698579) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile
• PubChem CID: 164698579
• Molecular Formula: C19H16N6O
• Molecular Weight: 344.38 g/mol
• Exact Mass: 344.14
• IUPAC Name: 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile
• SMILES: C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc(C#N)nc1
• InChI: InChI=1S/C19H16N6O/c1-13-18-22-17(14-5-3-2-4-6-14)23-25(18)10-9-24(13)19(26)15-7-8-16(11-20)21-12-15/h2-8,12-13H,9-10H2,1H3/t13-/m0/s1
• InChIKey: XFRRPNPYDJTTCT-ZDUSSCGKSA-N
• XLogP: 2.43
• TPSA: 87.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.38
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile?

The IUPAC name of 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile (CID 164698579) is 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc(C#N)nc1.

What is the InChIKey of 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile?

The InChIKey is XFRRPNPYDJTTCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16N6O/c1-13-18-22-17(14-5-3-2-4-6-14)23-25(18)10-9-24(13)19(26)15-7-8-16(11-20)21-12-15/h2-8,12-13H,9-10H2,1H3/t13-/m0/s1.

What are the key properties of 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile?

5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridine-2-carbonitrile is sourced from PubChem (CID 164698579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).