2-((2-Chloro-5-cyano-3-(oxiran-2-yl)phenyl)amino)-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

HCID 89922945
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Basic information

Standard SMILES
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CO2)c1
InChIKey
MCFXCBFSYPMROR-UHFFFAOYSA-N
Molecular formula
C18H13ClN8O
Average molar mass
392.8 g/mol
Monoisotopic mass
392.0900848

Names & identifiers

Preferred name
2-((2-Chloro-5-cyano-3-(oxiran-2-yl)phenyl)amino)-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile
IUPAC
2-[2-chloro-5-cyano-3-(oxiran-2-yl)anilino]-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

Names & synonyms

SCHEMBL15414252MCFXCBFSYPMROR-UHFFFAOYSA-N2-((2-chloro-5-cyano-3-(oxiran-2-yl)phenyl)amino)-4-(cyclopropylamino)imidazo[2,1-f][1,2,4]triazine-7-carbonitrile

Database identifiers

PubChem CID
89922945

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
127 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Linked notes

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