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Chemical ID: 7441363
Chemical ID:
7441363
Name [?]:
4-methoxy-N,N-dimethyl-6-(4-phenyltriazol-1-yl)-1,3,5-triazin-2-amine
SMILES [?]:
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
InChi [?]:
InChI=1/C14H15N7O/c1-20(2)12-15-13(17-14(16-12)22-3)21-9-11(18-19-21)10-7-5-4-6-8-10/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,20,19,21,18,22,13,17,14,4,6,8,5,9,7,15,16,2,12,10/E:(1,2)(5,6)(7,8)/rA:22nCNCCNCNCNOCNCCNNCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s6;s12;d13;s14;s12d15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N7O |
All Atoms: | 37 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62494 |
Area: | 505.847 |
Solvation: | -3.02123 |
Coulombic: | -42.1273 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 297.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.6 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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