4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile

C14H13F3N4 — CID 115486555

IUPAC4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCCCCC(F)(F)F
InChIInChI=1S/C14H13F3N4/c15-14(16,17)7-3-4-8-19-13-10-5-1-2-6-11(10)20-21-12(13)9-18/h1-2,5-6H,3-4,7-8H2,(H,19,20)
InChIKeyXGIMDNWMVWVSSO-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.65
Rot. Bonds5

About 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile

4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile (PubChem CID 115486555) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile
PubChem CID115486555
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCCCCC(F)(F)F
InChIInChI=1S/C14H13F3N4/c15-14(16,17)7-3-4-8-19-13-10-5-1-2-6-11(10)20-21-12(13)9-18/h1-2,5-6H,3-4,7-8H2,(H,19,20)
InChIKeyXGIMDNWMVWVSSO-UHFFFAOYSA-N
XLogP3.65
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
3-[(3-cyanocinnolin-4-yl)amino]propane-1-sulfonamide
CID 64900275
4-(2-ethoxyethylamino)cinnoline-3-carbonitrile
CID 64900269
4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile
CID 64900702
4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile
CID 64900054
N-(5,5,5-trifluoropentyl)cinnolin-4-amine
CID 115520682
4-[(3-hydroxy-4-methoxybutyl)amino]cinnoline-3-carbonitrile
CID 103875760
4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
CID 80563975
4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
CID 106403462

Frequently Asked Questions

What is the IUPAC name of 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile (CID 115486555) is 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCCCCC(F)(F)F.
What is the InChIKey of 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile?
The InChIKey is XGIMDNWMVWVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)7-3-4-8-19-13-10-5-1-2-6-11(10)20-21-12(13)9-18/h1-2,5-6H,3-4,7-8H2,(H,19,20).
What are the key properties of 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile?
4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile has a molecular weight of 294.28 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 115486555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).