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

C18H16FN5O — CID 164692660

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

(5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164692660) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164692660
• Molecular Formula: C18H16FN5O
• Molecular Weight: 337.36 g/mol
• Exact Mass: 337.13
• IUPAC Name: (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• SMILES: C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc(F)cn1
• InChI: InChI=1S/C18H16FN5O/c1-12-17-21-16(13-5-3-2-4-6-13)22-24(17)10-9-23(12)18(25)15-8-7-14(19)11-20-15/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
• InChIKey: JPHGWRAEKLTFMF-LBPRGKRZSA-N
• XLogP: 2.70
• TPSA: 63.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.36
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164692660) is (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1ccc(F)cn1.

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

The InChIKey is JPHGWRAEKLTFMF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12-17-21-16(13-5-3-2-4-6-13)22-24(17)10-9-23(12)18(25)15-8-7-14(19)11-20-15/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1.

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

(5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone has a molecular weight of 337.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-fluoro-2-pyridinyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 164692660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).