Responsive image

Common name


triforine

IUPAC name


N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]

SMILES


C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O

Compound class


Fungicide

Therapeutic area


Fungicide

Common name


triforine

IUPAC name


N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]

SMILES


C1CN(CCN1C(C(Cl)(Cl)Cl)NC=O)C(C(Cl)(Cl)Cl)NC=O

INCHI


InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)

FORMULA


C10H14Cl6N4O2

Responsive image

Common name


triforine

IUPAC name


N,N'-[1,4-piperazinediylbis(2,2,2-trichloroethylidene)]bis[formamide]

Molecular weight


434.962

clogP


2.849

clogS


-2.479

HBond Acceptor


6

HBond Donor


2

Total Polar
Surface Area


71.66

Number of Rings


1

Rotatable Bond


6

Drug ID Common name Structure CAS SMILE Frequency
FDBF07635 (1E)-N-(piperazin-1-ylmethyl)methanimidic acid Responsive image C(NC=O)N1CCNCC1 0.0003
FDBF07637 (1E)-N-[(1R)-2,2,2-trichloro-1-piperazin-1-ylethyl]methanimidic acid Responsive image C1N(CCNC1)[C@@H](C(Cl)(Cl)Cl)NC=O 0.0003
12 , 2