[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C10H12ClN3O — CID 164818230

IUPAC[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12
InChIInChI=1S/C10H12ClN3O/c11-9-1-13-10(2-12-9)14-3-6-7(4-14)8(6)5-15/h1-2,6-8,15H,3-5H2/t6-,7+,8?
InChIKeyRZYWMEOFDNAIHS-DHBOJHSNSA-N
MW225.68 g/mol
LogP0.80
Rot. Bonds2

About [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 164818230) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID164818230
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12
InChIInChI=1S/C10H12ClN3O/c11-9-1-13-10(2-12-9)14-3-6-7(4-14)8(6)5-15/h1-2,6-8,15H,3-5H2/t6-,7+,8?
InChIKeyRZYWMEOFDNAIHS-DHBOJHSNSA-N
XLogP0.80
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol with MolForge

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Related Compounds

[1-(6-Chloropyrazin-2-yl)-4-fluoropiperidin-4-yl]methanol
CID 139402145
(1-(Pyrazin-2-yl)piperidin-3-yl)methanol
CID 45787014
[1-(Pyrazin-2-yl)piperidin-4-yl]methanol
CID 51979938
[1-(6-Chloropyrazin-2-yl)piperidin-4-yl]methanol
CID 61362198
3-(6-Chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 130820271
1-(5-Chloropyrazin-2-yl)piperidin-3-ol
CID 130865771
3-(5-Chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
1-[1-(5-Chloropyrazin-2-yl)piperidin-4-yl]ethanol
CID 131985250
2-[1-(5-Chloropyrazin-2-yl)piperidin-4-yl]ethanol
CID 131988754
8-(3-Chloropyrazin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 153548780
[3-(5-Chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 163209145
(1-(6-Chloropyrazin-2-yl)piperidin-3-yl)methanol
CID 45787490

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 164818230) is [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1[C@H]2CN(c3cnc(Cl)cn3)C[C@@H]12.
What is the InChIKey of [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is RZYWMEOFDNAIHS-DHBOJHSNSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-9-1-13-10(2-12-9)14-3-6-7(4-14)8(6)5-15/h1-2,6-8,15H,3-5H2/t6-,7+,8?.
What are the key properties of [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 225.68 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 164818230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).