N-[(Z)-benzylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C20H27N7 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-benzylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolNameN-[(Z)-benzylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormulaC20H27N7
SmilesC(CC1)CCN1c1nc(N/N=C\c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H27N7/c1-4-10-17(11-5-1)16-21-25-18-22-19(26-12-6-2-7-13-26)24-20(23-18)27-14-8-3-9-15-27/h1,4-5,10-11,16H,2-3,6-9,12-15H2,(H,22,23,24,25)
InChIKCTGHKVXNRNJHDF-UHFFFAOYSA-N
TotalMolweight365.483
Molweight365.483
MonoisotopicMass365.232793
CLogP5.9285
CLogS-5.319
H Acceptors7
H Donors1
TotalSurfaceArea296.72
Relative PSA0.21225
PolarSurfaceArea69.54
Druglikeness2.872
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51852
Fragments1
Non HAtoms27
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms12
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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