6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one

C19H20N6O2 — CID 164694721

IUPAC6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C19H20N6O2/c1-12(2)16-18-22-17(13-6-4-3-5-7-13)23-25(18)9-8-24(16)19(27)14-10-20-11-15(26)21-14/h3-7,10-12,16H,8-9H2,1-2H3,(H,21,26)/t16-/m0/s1
InChIKeyDAHGNBVJYMCSOC-INIZCTEOSA-N
MW364.41 g/mol
LogP1.88
Rot. Bonds3

About 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one

6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one (PubChem CID 164694721) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one
PubChem CID164694721
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C19H20N6O2/c1-12(2)16-18-22-17(13-6-4-3-5-7-13)23-25(18)9-8-24(16)19(27)14-10-20-11-15(26)21-14/h3-7,10-12,16H,8-9H2,1-2H3,(H,21,26)/t16-/m0/s1
InChIKeyDAHGNBVJYMCSOC-INIZCTEOSA-N
XLogP1.88
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one with MolForge

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Related Compounds

(5-hydroxy-3-pyridinyl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164693252
(2,5-dimethyl-1H-imidazol-4-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164697805
1-methyl-5-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164691158
1-methyl-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]pyridin-2-one
CID 164688513
[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 164697836
(2,4-dimethyl-1,3-oxazol-5-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695559
(5-cyclopropyl-1-methylpyrazol-3-yl)-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164695344
3-hydroxy-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propan-1-one
CID 164695835
[4-(aminomethyl)phenyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone;hydrochloride
CID 171317425
[3-(dimethylamino)phenyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 164690495
formic acid;1-[2-oxo-2-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethyl]pyrimidine-2,4-dione
CID 171322492
2-cyclopropyl-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone;formic acid
CID 166598940

Frequently Asked Questions

What is the IUPAC name of 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one (CID 164694721) is 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)c1cncc(=O)[nH]1.
What is the InChIKey of 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one?
The InChIKey is DAHGNBVJYMCSOC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12(2)16-18-22-17(13-6-4-3-5-7-13)23-25(18)9-8-24(16)19(27)14-10-20-11-15(26)21-14/h3-7,10-12,16H,8-9H2,1-2H3,(H,21,26)/t16-/m0/s1.
What are the key properties of 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one?
6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 164694721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).