9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C11H13F3N4O — CID 166704987

IUPAC9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESFC(F)(F)c1cnc(N2C3CNCC2COC3)cn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9-3-17-10(4-16-9)18-7-1-15-2-8(18)6-19-5-7/h3-4,7-8,15H,1-2,5-6H2
InChIKeyDUNIKJOBTJQXHU-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.67
Rot. Bonds1

About 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane

9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 166704987) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID166704987
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESFC(F)(F)c1cnc(N2C3CNCC2COC3)cn1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)9-3-17-10(4-16-9)18-7-1-15-2-8(18)6-19-5-7/h3-4,7-8,15H,1-2,5-6H2
InChIKeyDUNIKJOBTJQXHU-UHFFFAOYSA-N
XLogP0.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]pyrazin-2-amine
CID 91648178
(10S)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 164854758
(10R)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene;hydrochloride
CID 166082723
(10R)-5-(trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 166082724
3-Methoxy-2-piperazin-1-yl-5-(trifluoromethyl)pyrazine
CID 167192805
5-(Trifluoromethyl)-8-oxa-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 167242288
2-[2-(Ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 170259322
5-(difluoromethyl)-N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]pyrazin-2-amine;hydrochloride
CID 176181633
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181650
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181754
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 176181755
N-[[(2S,3R)-6,6-difluoro-2-methylmorpholin-3-yl]methyl]-3-methyl-5-(trifluoromethyl)pyrazin-2-amine;hydrochloride
CID 176181785

Frequently Asked Questions

What is the IUPAC name of 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 166704987) is 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane is FC(F)(F)c1cnc(N2C3CNCC2COC3)cn1.
What is the InChIKey of 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is DUNIKJOBTJQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)9-3-17-10(4-16-9)18-7-1-15-2-8(18)6-19-5-7/h3-4,7-8,15H,1-2,5-6H2.
What are the key properties of 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 274.25 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(trifluoromethyl)pyrazin-2-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 166704987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).