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

C15H19N5O — CID 119953964

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

3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one (PubChem CID 119953964) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one.

Molecular Properties

• Compound Name: 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one
• PubChem CID: 119953964
• Molecular Formula: C15H19N5O
• Molecular Weight: 285.35 g/mol
• Exact Mass: 285.16
• IUPAC Name: 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one
• SMILES: Cc1nc2n(n1)CCN(C(=O)CC(N)c1ccccc1)C2
• InChI: InChI=1S/C15H19N5O/c1-11-17-14-10-19(7-8-20(14)18-11)15(21)9-13(16)12-5-3-2-4-6-12/h2-6,13H,7-10,16H2,1H3
• InChIKey: BQOHVJIMVPYOAJ-UHFFFAOYSA-N
• XLogP: 1.02
• 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	1.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one (CID 119953964) is 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one.

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

The canonical SMILES for 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one is Cc1nc2n(n1)CCN(C(=O)CC(N)c1ccccc1)C2.

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

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

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

3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 119953964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).