2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine

C16H23F3N4O2 — CID 177015828

IUPAC2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine
SMILESC=C1CCCN1CC1OCCCC1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H19NO2.C5H4F3N3/c1-9-4-2-6-12(9)8-11-10(13)5-3-7-14-11;6-5(7,8)3-1-10-2-4(9)11-3/h10-11,13H,1-8H2;1-2H,(H2,9,11)
InChIKeyZAWJXUUZBZYGSN-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.21
Rot. Bonds2

About 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine

2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 177015828) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID177015828
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine
SMILESC=C1CCCN1CC1OCCCC1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C11H19NO2.C5H4F3N3/c1-9-4-2-6-12(9)8-11-10(13)5-3-7-14-11;6-5(7,8)3-1-10-2-4(9)11-3/h10-11,13H,1-8H2;1-2H,(H2,9,11)
InChIKeyZAWJXUUZBZYGSN-UHFFFAOYSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dihydroxyoxan-2-yl)methylamino]acetic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171556862
2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557854
4-[(3,4-dihydroxyoxan-2-yl)methylcarbamoylamino]benzoic acid;6-(trifluoromethyl)pyrazin-2-amine
CID 171557366
1-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyrrolidin-2-one
CID 171558262
3-cyano-N-[(3,4-dihydroxyoxan-2-yl)methyl]-1H-pyrazole-5-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171556881
1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
CID 178007692
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]pyridine-3-carboxamide;ethane;6-(trifluoromethyl)pyrazin-2-amine
CID 176953241
(2S,3R)-2-prop-2-enyloxan-3-ol
CID 14917728
(3,4-dihydroxypiperidin-1-yl)-(4-phenylphenyl)methanone;ethane;6-(trifluoromethyl)pyrazin-2-amine
CID 178007758
(2R,3R,4R,5S)-2-(azepan-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556588
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]quinazoline-6-carboxamide;6-(trifluoromethyl)pyrazin-2-amine
CID 171558033
(2S)-2-[[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]methyl]oxan-3-ol
CID 118209015

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine (CID 177015828) is 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine is C=C1CCCN1CC1OCCCC1O.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is ZAWJXUUZBZYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.C5H4F3N3/c1-9-4-2-6-12(9)8-11-10(13)5-3-7-14-11;6-5(7,8)3-1-10-2-4(9)11-3/h10-11,13H,1-8H2;1-2H,(H2,9,11).
What are the key properties of 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine?
2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 360.38 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 177015828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).