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

C22H29N5O2 — CID 164699556

IUPAC1-[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
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCN1CCCCC1=O
InChIInChI=1S/C22H29N5O2/c1-16(2)20-22-23-21(17-8-4-3-5-9-17)24-27(22)15-14-26(20)19(29)11-13-25-12-7-6-10-18(25)28/h3-5,8-9,16,20H,6-7,10-15H2,1-2H3/t20-/m0/s1
InChIKeyHYXXNSFWSBMEMG-FQEVSTJZSA-N
MW395.51 g/mol
LogP2.89
Rot. Bonds5

About 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

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 (PubChem CID 164699556) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID164699556
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[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
SMILESCC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCN1CCCCC1=O
InChIInChI=1S/C22H29N5O2/c1-16(2)20-22-23-21(17-8-4-3-5-9-17)24-27(22)15-14-26(20)19(29)11-13-25-12-7-6-10-18(25)28/h3-5,8-9,16,20H,6-7,10-15H2,1-2H3/t20-/m0/s1
InChIKeyHYXXNSFWSBMEMG-FQEVSTJZSA-N
XLogP2.89
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 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-[(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
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-[(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
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
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
1,1-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
[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
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
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
(2,4-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[C@H]1c2nc(-c3ccccc3)nn2CCN1C(=O)CCN1CCCCC1=O.
What is the InChIKey of 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?
The InChIKey is HYXXNSFWSBMEMG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16(2)20-22-23-21(17-8-4-3-5-9-17)24-27(22)15-14-26(20)19(29)11-13-25-12-7-6-10-18(25)28/h3-5,8-9,16,20H,6-7,10-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 395.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164699556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).