1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one

C21H23N5O2 — CID 164691158

About 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one

1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 164691158) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
• PubChem CID: 164691158
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
• SMILES: CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc(=O)n(C)c1
• InChI: InChI=1S/C21H23N5O2/c1-14(2)18-20-22-19(15-7-5-4-6-8-15)23-26(20)12-11-25(18)21(28)16-9-10-17(27)24(3)13-16/h4-10,13-14,18H,11-12H2,1-3H3/t18-/m0/s1
• InChIKey: WHYYKQRSRDHVMF-SFHVURJKSA-N
• XLogP: 2.50
• TPSA: 73.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one (CID 164691158) is 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one.

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

The canonical SMILES for 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc(=O)n(C)c1.

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

The InChIKey is WHYYKQRSRDHVMF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14(2)18-20-22-19(15-7-5-4-6-8-15)23-26(20)12-11-25(18)21(28)16-9-10-17(27)24(3)13-16/h4-10,13-14,18H,11-12H2,1-3H3/t18-/m0/s1.

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

1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 164691158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).