9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

C16H23F3N4O2 — CID 155843156

IUPAC9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4.C2HF3O2/c1-17-9-4-14(5-10-17)3-2-8-18(12-14)13-11-15-6-7-16-13;3-2(4,5)1(6)7/h6-7,11H,2-5,8-10,12H2,1H3;(H,6,7)
InChIKeyCFHUGYMFTNLHMP-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.42
Rot. Bonds1

About 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid

9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (PubChem CID 155843156) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
PubChem CID155843156
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
SMILESCN1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4.C2HF3O2/c1-17-9-4-14(5-10-17)3-2-8-18(12-14)13-11-15-6-7-16-13;3-2(4,5)1(6)7/h6-7,11H,2-5,8-10,12H2,1H3;(H,6,7)
InChIKeyCFHUGYMFTNLHMP-UHFFFAOYSA-N
XLogP2.42
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The IUPAC name of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid (CID 155843156) is 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is CN1CCC2(CCCN(c3cnccn3)C2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
The InChIKey is CFHUGYMFTNLHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.C2HF3O2/c1-17-9-4-14(5-10-17)3-2-8-18(12-14)13-11-15-6-7-16-13;3-2(4,5)1(6)7/h6-7,11H,2-5,8-10,12H2,1H3;(H,6,7).
What are the key properties of 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid?
9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid has a molecular weight of 360.38 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).