[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol

C11H13F2N3O — CID 170224843

IUPAC[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CC3[C@H](C2)C3(F)F)cnc1CO
InChIInChI=1S/C11H13F2N3O/c1-6-9(5-17)14-2-10(15-6)16-3-7-8(4-16)11(7,12)13/h2,7-8,17H,3-5H2,1H3/t7-,8?/m0/s1
InChIKeyXCRYCPNMOOAMMN-JAMMHHFISA-N
MW241.24 g/mol
LogP0.98
Rot. Bonds2

About [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol

[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol (PubChem CID 170224843) has the molecular formula C11H13F2N3O and a molecular weight of 241.24 g/mol. Its IUPAC name is [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol
PubChem CID170224843
Molecular FormulaC11H13F2N3O
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CC3[C@H](C2)C3(F)F)cnc1CO
InChIInChI=1S/C11H13F2N3O/c1-6-9(5-17)14-2-10(15-6)16-3-7-8(4-16)11(7,12)13/h2,7-8,17H,3-5H2,1H3/t7-,8?/m0/s1
InChIKeyXCRYCPNMOOAMMN-JAMMHHFISA-N
XLogP0.98
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol?
The IUPAC name of [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol (CID 170224843) is [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol?
The canonical SMILES for [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol is Cc1nc(N2CC3[C@H](C2)C3(F)F)cnc1CO.
What is the InChIKey of [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol?
The InChIKey is XCRYCPNMOOAMMN-JAMMHHFISA-N. The full InChI is InChI=1S/C11H13F2N3O/c1-6-9(5-17)14-2-10(15-6)16-3-7-8(4-16)11(7,12)13/h2,7-8,17H,3-5H2,1H3/t7-,8?/m0/s1.
What are the key properties of [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol?
[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol has a molecular weight of 241.24 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 170224843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).