Free Chemical Databases
-
[Synonyms]
NSC21111
[Structure]
[ Properties Computed from Structure]
Molecular Weight 191.23302 [g/mol] Molecular Formula C9H13N5 XLogP 2 H-Bond Donor 2 H-Bond Acceptor 5 Rotatable Bond Count 3 Tautomer Count 13 Exact Mass 191.117095 MonoIsotopic Mass 191.117095 Topological Polar Surface Area 66.5 Heavy Atom Count 14 Formal Charge 0 Complexity 184 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: N-(2-methylpropyl)-1H-pyrazolo[4,3-e]pyrimidin-4-amine
Canonical SMILES: CC(C)CNC1=NC=NC2=C1C=NN2
InChI: InChI=1/C9H13N5/c1-6(2)3-10-8-7-4-13-14-9(7)12-5-11-8/h4-6H,3H2,1-2H3,
(H2,10,11,12,13,14)/f/h10,14H
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