Free Chemical Databases
-
[Synonyms]
CBDivE_014580
STK051621
ZINC00405315
2-AMINO-4-ANILINO-6-CHLORO-S-TRIAZINE
16007-72-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 221.64632 [g/mol] Molecular Formula C9H8ClN5 XLogP 1.5 H-Bond Donor 2 H-Bond Acceptor 5 Rotatable Bond Count 2 Tautomer Count 9 Exact Mass 221.046823 MonoIsotopic Mass 221.046823 Topological Polar Surface Area 76.7 Heavy Atom Count 15 Formal Charge 0 Complexity 197 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: 6-chloro-N-phenyl-1,3,5-triazine-2,4-diamine
Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)Cl
InChI: InChI=1/C9H8ClN5/c10-7-13-8(11)15-9(14-7)12-6-4-2-1-3-5-6/h1-5H,(H3,11,
12,13,14,15)/f/h12H,11H2
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