(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine

C6H12N2O — CID 99719250

IUPAC(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine
SMILESC1CN[C@@H]2COC[C@@H]2N1
InChIInChI=1S/C6H12N2O/c1-2-8-6-4-9-3-5(6)7-1/h5-8H,1-4H2/t5-,6+
InChIKeyUWVLUGCGRVTZKF-OLQVQODUSA-N
MW128.18 g/mol
LogP-1.05
Rot. Bonds

About (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine

(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine (PubChem CID 99719250) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine.

Molecular Properties

Compound Name(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine
PubChem CID99719250
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine
SMILESC1CN[C@@H]2COC[C@@H]2N1
InChIInChI=1S/C6H12N2O/c1-2-8-6-4-9-3-5(6)7-1/h5-8H,1-4H2/t5-,6+
InChIKeyUWVLUGCGRVTZKF-OLQVQODUSA-N
XLogP-1.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Oxolan-3-yl)piperazine--hydrogen chloride (1/1)
CID 53249945
1-(Oxolan-3-yl)piperazine
CID 53249946
rac-(4aR,7aS)-octahydropyrrolo[3,4-b]morpholine dihydrochloride
CID 57462578
rac-(4aR,7aS)-4-methyl-octahydropyrrolo(3,4-b)morpholine
CID 68019343
rac-(4aR,7aS)-6-methyl-octahydropyrrolo[3,4-b][1,4]oxazine
CID 68271608
(4aS,7aS)-octahydropyrrolo[3,4-b][1,4]oxazine
CID 15069982
Hexahydro-oxazolo[3,4-a]pyrazine
CID 22562200
Rel-(4aS,7aR)-octahydropyrrolo[3,4-b][1,4]oxazine
CID 9860783
Morpholin-3-ylmethanamine
CID 19045189
Rel-(4Ar,7As)-4-Methyloctahydropyrrolo[3,4-B][1,4]Oxazine
CID 68019258
1-[(3R,4S)-4-fluorooxolan-3-yl]piperazine
CID 126848009
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrobromide
CID 9860782

Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine?
The IUPAC name of (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine (CID 99719250) is (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine.
What is the SMILES notation for (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine?
The canonical SMILES for (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine is C1CN[C@@H]2COC[C@@H]2N1.
What is the InChIKey of (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine?
The InChIKey is UWVLUGCGRVTZKF-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-8-6-4-9-3-5(6)7-1/h5-8H,1-4H2/t5-,6+.
What are the key properties of (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine?
(4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine has a molecular weight of 128.18 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-1,2,3,4,4a,5,7,7a-octahydrofuro[3,4-b]pyrazine is sourced from PubChem (CID 99719250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).