(2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol

C16H21FN4O2 — CID 95311600

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

(2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol (PubChem CID 95311600) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
• PubChem CID: 95311600
• Molecular Formula: C16H21FN4O2
• Molecular Weight: 320.37 g/mol
• Exact Mass: 320.16
• IUPAC Name: (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol
• SMILES: Cc1nnc2n1CCN(C[C@H](O)COCc1ccccc1F)C2
• InChI: InChI=1S/C16H21FN4O2/c1-12-18-19-16-9-20(6-7-21(12)16)8-14(22)11-23-10-13-4-2-3-5-15(13)17/h2-5,14,22H,6-11H2,1H3/t14-/m0/s1
• InChIKey: RGWKKGAEKNMFEX-AWEZNQCLSA-N
• XLogP: 1.12
• TPSA: 63.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.37
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol (CID 95311600) is (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol.

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

The canonical SMILES for (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol is Cc1nnc2n1CCN(C[C@H](O)COCc1ccccc1F)C2.

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

The InChIKey is RGWKKGAEKNMFEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-12-18-19-16-9-20(6-7-21(12)16)8-14(22)11-23-10-13-4-2-3-5-15(13)17/h2-5,14,22H,6-11H2,1H3/t14-/m0/s1.

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

(2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol has a molecular weight of 320.37 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2-fluorophenyl)methoxy]-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-ol is sourced from PubChem (CID 95311600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).