N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine

C10H11F5N4 — CID 118865470

IUPACN-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1cnc(NCC2NCCC2(F)F)cn1
InChIInChI=1S/C10H11F5N4/c11-9(12)1-2-16-6(9)3-18-8-5-17-7(4-19-8)10(13,14)15/h4-6,16H,1-3H2,(H,18,19)
InChIKeyMAMHEOIQIGTJSC-UHFFFAOYSA-N
MW282.22 g/mol
LogP1.90
Rot. Bonds3

About N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 118865470) has the molecular formula C10H11F5N4 and a molecular weight of 282.22 g/mol. Its IUPAC name is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID118865470
Molecular FormulaC10H11F5N4
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC NameN-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1cnc(NCC2NCCC2(F)F)cn1
InChIInChI=1S/C10H11F5N4/c11-9(12)1-2-16-6(9)3-18-8-5-17-7(4-19-8)10(13,14)15/h4-6,16H,1-3H2,(H,18,19)
InChIKeyMAMHEOIQIGTJSC-UHFFFAOYSA-N
XLogP1.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415
3-(Cyclopentylamino)pyrazine-2,5-dicarbonitrile
CID 57394465
3-(Pentylamino)pyrazine-2,5-dicarbonitrile
CID 57394665
3-(Cyclohexylamino)pyrazine-2,5-dicarbonitrile
CID 57396225
N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine
CID 110271460
3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
CID 22248917
6-Methyl-N-(pentan-3-yl)pyrazin-2-amine
CID 45099732
6-methyl-N-propan-2-ylpyrazin-2-amine
CID 89879689
N-(2,2-difluoroethyl)-5-pyrrolidin-2-ylpyrazin-2-amine;hydrochloride
CID 118741710
3,6-dimethyl-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazin-2-amine
CID 164629814
3-[[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]amino]pyrazine-2-carbonitrile
CID 164640687

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 118865470) is N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine is FC(F)(F)c1cnc(NCC2NCCC2(F)F)cn1.
What is the InChIKey of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is MAMHEOIQIGTJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N4/c11-9(12)1-2-16-6(9)3-18-8-5-17-7(4-19-8)10(13,14)15/h4-6,16H,1-3H2,(H,18,19).
What are the key properties of N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 282.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropyrrolidin-2-yl)methyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 118865470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).