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

C19H16ClFN4O — CID 164694394

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

(3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (PubChem CID 164694394) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
• PubChem CID: 164694394
• Molecular Formula: C19H16ClFN4O
• Molecular Weight: 370.82 g/mol
• Exact Mass: 370.10
• IUPAC Name: (3-chloro-5-fluorophenyl)-[(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)c1cc(F)cc(Cl)c1
• InChI: InChI=1S/C19H16ClFN4O/c1-12-18-22-17(13-5-3-2-4-6-13)23-25(18)8-7-24(12)19(26)14-9-15(20)11-16(21)10-14/h2-6,9-12H,7-8H2,1H3/t12-/m0/s1
• InChIKey: SNMPTXQLAQBQCX-LBPRGKRZSA-N
• XLogP: 3.95
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.82
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone (CID 164694394) is (3-chloro-5-fluorophenyl)-[(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 (3-chloro-5-fluorophenyl)-[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone?

The canonical SMILES for (3-chloro-5-fluorophenyl)-[(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)c1cc(F)cc(Cl)c1.

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

The InChIKey is SNMPTXQLAQBQCX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-18-22-17(13-5-3-2-4-6-13)23-25(18)8-7-24(12)19(26)14-9-15(20)11-16(21)10-14/h2-6,9-12H,7-8H2,1H3/t12-/m0/s1.

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

(3-chloro-5-fluorophenyl)-[(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 370.82 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-5-fluorophenyl)-[(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 164694394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).