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

C15H19N5O — CID 164698666

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

3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 164698666) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
• PubChem CID: 164698666
• Molecular Formula: C15H19N5O
• Molecular Weight: 285.35 g/mol
• Exact Mass: 285.16
• IUPAC Name: 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
• SMILES: C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCN
• InChI: InChI=1S/C15H19N5O/c1-11-15-17-14(12-5-3-2-4-6-12)18-20(15)10-9-19(11)13(21)7-8-16/h2-6,11H,7-10,16H2,1H3/t11-/m0/s1
• InChIKey: WQYJDKNDMLYAFP-NSHDSACASA-N
• XLogP: 1.20
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	285.35
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one (CID 164698666) is 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one.

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

The canonical SMILES for 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCN.

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

The InChIKey is WQYJDKNDMLYAFP-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-15-17-14(12-5-3-2-4-6-12)18-20(15)10-9-19(11)13(21)7-8-16/h2-6,11H,7-10,16H2,1H3/t11-/m0/s1.

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

3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 164698666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).