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

C17H16N6O — CID 164699117

IUPAC[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
SMILESC[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnccn1
InChIInChI=1S/C17H16N6O/c1-12-16-20-15(13-5-3-2-4-6-13)21-23(16)10-9-22(12)17(24)14-11-18-7-8-19-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
InChIKeyWNEBITPBFYULAI-LBPRGKRZSA-N
MW320.36 g/mol
LogP1.95
Rot. Bonds2

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

[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone (PubChem CID 164699117) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
PubChem CID164699117
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone
SMILESC[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnccn1
InChIInChI=1S/C17H16N6O/c1-12-16-20-15(13-5-3-2-4-6-13)21-23(16)10-9-22(12)17(24)14-11-18-7-8-19-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1
InChIKeyWNEBITPBFYULAI-LBPRGKRZSA-N
XLogP1.95
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone (CID 164699117) is [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone is C[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cnccn1.
What is the InChIKey of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is WNEBITPBFYULAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N6O/c1-12-16-20-15(13-5-3-2-4-6-13)21-23(16)10-9-22(12)17(24)14-11-18-7-8-19-14/h2-8,11-12H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone?
[(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 320.36 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-methyl-2-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 164699117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).