3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile

C11H14F3N5 — CID 71934200

IUPAC3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile
SMILESCN(CCCNc1nccnc1C#N)CC(F)(F)F
InChIInChI=1S/C11H14F3N5/c1-19(8-11(12,13)14)6-2-3-17-10-9(7-15)16-4-5-18-10/h4-5H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyPLFXXKMEHDGCRF-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.64
Rot. Bonds6

About 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile

3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile (PubChem CID 71934200) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile
PubChem CID71934200
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile
SMILESCN(CCCNc1nccnc1C#N)CC(F)(F)F
InChIInChI=1S/C11H14F3N5/c1-19(8-11(12,13)14)6-2-3-17-10-9(7-15)16-4-5-18-10/h4-5H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyPLFXXKMEHDGCRF-UHFFFAOYSA-N
XLogP1.64
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Cyclohexylamino)pyrazine-2-carbonitrile
CID 16108898
3-(Methylamino)pyrazine-2-carbonitrile
CID 821140
2-Methyl-3-(piperazin-1-yl)pyrazine
CID 45099710
2-Methyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674676
N,3-Dimethylpyrazin-2-amine
CID 44327445
3-(Diethylamino)pyrazine-2,5-dicarbonitrile
CID 57391054
3-(Piperazin-1-yl)pyrazine-2-carbonitrile
CID 2760441
3-(Hexylamino)pyrazine-2,5-dicarbonitrile
CID 57334415
3-(Heptylamino)pyrazine-2,5-dicarbonitrile
CID 57334416
3-(Cyclopentylamino)pyrazine-2,5-dicarbonitrile
CID 57394465
3-(Pentylamino)pyrazine-2,5-dicarbonitrile
CID 57394665
3-(Cyclohexylamino)pyrazine-2,5-dicarbonitrile
CID 57396225

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile (CID 71934200) is 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile is CN(CCCNc1nccnc1C#N)CC(F)(F)F.
What is the InChIKey of 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile?
The InChIKey is PLFXXKMEHDGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-19(8-11(12,13)14)6-2-3-17-10-9(7-15)16-4-5-18-10/h4-5H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile?
3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile has a molecular weight of 273.26 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71934200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).