Free Chemical Databases
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[Synonyms]
NSC181981
[Structure]
[ Properties Computed from Structure]
Molecular Weight 276.33574 [g/mol] Molecular Formula C17H16N4 XLogP 2.5 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 3 Exact Mass 276.137497 MonoIsotopic Mass 276.137497 Topological Polar Surface Area 64.7 Heavy Atom Count 21 Formal Charge 0 Complexity 269 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 4,6-bis(phenylmethyl)-1,3,5-triazin-2-amine
Canonical SMILES: C1=CC=C(C=C1)CC2=NC(=NC(=N2)N)CC3=CC=CC=C3
InChI: InChI=1/C17H16N4/c18-17-20-15(11-13-7-3-1-4-8-13)19-16(21-17)12-14-9-5-
2-6-10-14/h1-10H,11-12H2,(H2,18,19,20,21)/f/h18H2
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