1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one

C20H24N6O — CID 165420861

IUPAC1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCn1cccn1
InChIInChI=1S/C20H24N6O/c1-15(2)18-20-22-19(16-7-4-3-5-8-16)23-26(20)14-13-25(18)17(27)9-12-24-11-6-10-21-24/h3-8,10-11,15,18H,9,12-14H2,1-2H3/t18-/m0/s1
InChIKeyFHMFPEFRUCQZRF-SFHVURJKSA-N
MW364.45 g/mol
LogP2.77
Rot. Bonds5

About 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one

1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 165420861) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID165420861
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCn1cccn1
InChIInChI=1S/C20H24N6O/c1-15(2)18-20-22-19(16-7-4-3-5-8-16)23-26(20)14-13-25(18)17(27)9-12-24-11-6-10-21-24/h3-8,10-11,15,18H,9,12-14H2,1-2H3/t18-/m0/s1
InChIKeyFHMFPEFRUCQZRF-SFHVURJKSA-N
XLogP2.77
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one with MolForge

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Related Compounds

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
1-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]piperidin-2-one
CID 164699556
1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyridin-3-ylpropan-1-one
CID 164691671
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
1,1-dimethyl-3-[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]urea
CID 164691265
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
5-[3-oxo-3-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]propyl]-1,2-oxazol-3-one
CID 164692714
2-(3-methyl-1,2-oxazol-5-yl)-1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 164688823
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
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
(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
formic acid;[1-(methoxymethyl)cyclopropyl]-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]methanone
CID 166599922

Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one (CID 165420861) is 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCn1cccn1.
What is the InChIKey of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is FHMFPEFRUCQZRF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N6O/c1-15(2)18-20-22-19(16-7-4-3-5-8-16)23-26(20)14-13-25(18)17(27)9-12-24-11-6-10-21-24/h3-8,10-11,15,18H,9,12-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one?
1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-2-phenyl-8-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 165420861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).