Chemical ID: 7440024

CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
Chemical ID:
7440024
Name [?]:
6-(benzotriazol-1-yloxymethyl)-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
SMILES [?]:
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
InChi [?]:
InChI=1/C12H14N8O/c1-19(2)12-15-10(14-11(13)16-12)7-21-20-9-6-4-3-5-8(9)17-18-20/h3-6H,7H2,1-2H3,(H2,13,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,11,19,14,6,8,4,10,7,5,9,20,21,2,13,12/E:(1,2)/rA:21nCNCCNCNCNNCONCCCCCCNN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s6;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N8O
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.62775
Area:488.561
Solvation:-2.58627
Coulombic:-49.0097
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.293
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.57
LogP (Chemaxon):2.84

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