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

C20H22N6O — CID 165422600

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

(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 165422600) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 165422600
• Molecular Formula: C20H22N6O
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.19
• IUPAC Name: (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1CN(C(=O)c2cccc(N)n2)Cc2nnc(CCc3ccccc3)n21
• InChI: InChI=1S/C20H22N6O/c1-14-12-25(20(27)16-8-5-9-17(21)22-16)13-19-24-23-18(26(14)19)11-10-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H2,21,22)/t14-/m0/s1
• InChIKey: XGHKESRFVSBOMN-AWEZNQCLSA-N
• XLogP: 2.26
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 165422600) is (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@H]1CN(C(=O)c2cccc(N)n2)Cc2nnc(CCc3ccccc3)n21.

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

The InChIKey is XGHKESRFVSBOMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-12-25(20(27)16-8-5-9-17(21)22-16)13-19-24-23-18(26(14)19)11-10-15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H2,21,22)/t14-/m0/s1.

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

(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 362.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 165422600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).