(6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C19H20N6O — CID 164690731

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

(6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 164690731) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 164690731
• Molecular Formula: C19H20N6O
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.17
• IUPAC Name: (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1CN(C(=O)c2ccc(N)nc2)Cc2nnc(Cc3ccccc3)n21
• InChI: InChI=1S/C19H20N6O/c1-13-11-24(19(26)15-7-8-16(20)21-10-15)12-18-23-22-17(25(13)18)9-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H2,20,21)/t13-/m0/s1
• InChIKey: RQBPTJFAKDTRNB-ZDUSSCGKSA-N
• XLogP: 2.06
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 164690731) is (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2ccc(N)nc2)Cc2nnc(Cc3ccccc3)n21.

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

The InChIKey is RQBPTJFAKDTRNB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-11-24(19(26)15-7-8-16(20)21-10-15)12-18-23-22-17(25(13)18)9-14-5-3-2-4-6-14/h2-8,10,13H,9,11-12H2,1H3,(H2,20,21)/t13-/m0/s1.

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

(6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164690731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).