2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

C12H15N3O — CID 141312593

IUPAC2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1C2CCCN2CCN1c1cccnc1
InChIInChI=1S/C12H15N3O/c16-12-11-4-2-6-14(11)7-8-15(12)10-3-1-5-13-9-10/h1,3,5,9,11H,2,4,6-8H2
InChIKeyWSWQGESKSDSFBF-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.89
Rot. Bonds1

About 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one

2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (PubChem CID 141312593) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
PubChem CID141312593
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1C2CCCN2CCN1c1cccnc1
InChIInChI=1S/C12H15N3O/c16-12-11-4-2-6-14(11)7-8-15(12)10-3-1-5-13-9-10/h1,3,5,9,11H,2,4,6-8H2
InChIKeyWSWQGESKSDSFBF-UHFFFAOYSA-N
XLogP0.89
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-nitroso-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 88913282
(9aR)-2-(6-amino-3-pyridinyl)-4,6,7,8,9,9a-hexahydro-3H-pyrido[1,2-a]pyrazin-1-one
CID 124567388
2-(6-tert-butyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 134595640
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
CID 97075628
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
(2R,6S,8R,12S)-4,10-dipyridin-3-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 7060312
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
1-(1-methylpyrazol-4-yl)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]piperidin-2-one
CID 75473623

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one (CID 141312593) is 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is O=C1C2CCCN2CCN1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is WSWQGESKSDSFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-11-4-2-6-14(11)7-8-15(12)10-3-1-5-13-9-10/h1,3,5,9,11H,2,4,6-8H2.
What are the key properties of 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one?
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 217.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 141312593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).