9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline

C16H20N4O — CID 142397842

IUPAC9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline
SMILESCC1(C)c2oncc2CC2CN(c3cnccn3)CCC21
InChIInChI=1S/C16H20N4O/c1-16(2)13-3-6-20(14-9-17-4-5-18-14)10-12(13)7-11-8-19-21-15(11)16/h4-5,8-9,12-13H,3,6-7,10H2,1-2H3
InChIKeyJHTMUFFSNSVCRL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds1

About 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline

9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline (PubChem CID 142397842) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline.

Molecular Properties

Compound Name9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline
PubChem CID142397842
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline
SMILESCC1(C)c2oncc2CC2CN(c3cnccn3)CCC21
InChIInChI=1S/C16H20N4O/c1-16(2)13-3-6-20(14-9-17-4-5-18-14)10-12(13)7-11-8-19-21-15(11)16/h4-5,8-9,12-13H,3,6-7,10H2,1-2H3
InChIKeyJHTMUFFSNSVCRL-UHFFFAOYSA-N
XLogP2.44
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

5,5-dimethyl-6-oxo-2-pyrazin-2-yl-3,4,4a,8a-tetrahydro-1H-isoquinoline-7-carbonitrile
CID 142398036
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2-(4-bromopiperidin-1-yl)pyrazine
CID 80674882
1-[(3aS,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 125222291
1-[(3aS,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]butan-1-one
CID 125223130
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
(3S)-1-pyrazin-2-ylpiperidin-3-amine
CID 86277059
2-(3-ethylpiperidin-1-yl)pyrazine
CID 146424567
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
6-pyrazin-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683459

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline?
The IUPAC name of 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline (CID 142397842) is 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline.
What is the SMILES notation for 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline?
The canonical SMILES for 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline is CC1(C)c2oncc2CC2CN(c3cnccn3)CCC21.
What is the InChIKey of 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline?
The InChIKey is JHTMUFFSNSVCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)13-3-6-20(14-9-17-4-5-18-14)10-12(13)7-11-8-19-21-15(11)16/h4-5,8-9,12-13H,3,6-7,10H2,1-2H3.
What are the key properties of 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline?
9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline has a molecular weight of 284.36 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-pyrazin-2-yl-4,4a,5,7,8,8a-hexahydro-[1,2]oxazolo[5,4-g]isoquinoline is sourced from PubChem (CID 142397842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).