Common name
ametoctradin
Formula
C15H25N5
CAS
865318-97-4
IUPAC name
5-ethyl-6-octyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES
CCCCCCCCc1c(CC)nc2ncnn2c1N
INCHI
InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
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Num. nitrogen atom:
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Num. P atoms:
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Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
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THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 8
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
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Gau:
