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Chemical ID: 6208121
Chemical ID:
6208121
Name [?]:
6,6-dimethyl-N-(p-tolyl)-1H-1,3,5-triazine-2,4-diamine
SMILES [?]:
Cc1ccc(cc1)NC2=NC(=NC(N2)(C)C)N
InChi [?]:
InChI=1/C12H17N5/c1-8-4-6-9(7-5-8)14-11-15-10(13)16-12(2,3)17-11/h4-7H,1-3H3,(H4,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,3,7,4,6,2,5,11,9,13,17,8,10,12,14/E:(2,3)(4,5)(6,7)/rA:17nCCCCCCCNCNCNCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s12;s9s13;s13;s13;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17N5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64153 |
Area: | 416.981 |
Solvation: | -1.78298 |
Coulombic: | -52.4136 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 231.297 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.73 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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