3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile

C19H21F3N6 — CID 71934202

IUPAC3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H21F3N6/c20-19(21,22)15-3-1-4-16(13-15)28-11-9-27(10-12-28)8-2-5-25-18-17(14-23)24-6-7-26-18/h1,3-4,6-7,13H,2,5,8-12H2,(H,25,26)
InChIKeyKYOYUBGCVDNAHW-UHFFFAOYSA-N
MW390.41 g/mol
LogP2.99
Rot. Bonds6

About 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile

3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile (PubChem CID 71934202) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile
PubChem CID71934202
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H21F3N6/c20-19(21,22)15-3-1-4-16(13-15)28-11-9-27(10-12-28)8-2-5-25-18-17(14-23)24-6-7-26-18/h1,3-4,6-7,13H,2,5,8-12H2,(H,25,26)
InChIKeyKYOYUBGCVDNAHW-UHFFFAOYSA-N
XLogP2.99
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 163351981
4-(4-methylphenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 71187765
4-(4-chlorophenyl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11648823
4-(furan-2-yl)-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-2-amine
CID 11612009
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925323
1-tert-butyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]urea
CID 112840319
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 47055405
1-(5-methyl-1,3-thiazol-2-yl)-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]urea
CID 112824707
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile (CID 71934202) is 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile?
The InChIKey is KYOYUBGCVDNAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c20-19(21,22)15-3-1-4-16(13-15)28-11-9-27(10-12-28)8-2-5-25-18-17(14-23)24-6-7-26-18/h1,3-4,6-7,13H,2,5,8-12H2,(H,25,26).
What are the key properties of 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile?
3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile has a molecular weight of 390.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 71934202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).