Chemical ID: 5786296

c1ccc(c(c1)c2nc(nc(n2)N)N)c3nc(nc(n3)N)N
Chemical ID:
5786296
Name [?]:
6-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine-2,4-diamine
SMILES [?]:
c1ccc(c(c1)c2nc(nc(n2)N)N)c3nc(nc(n3)N)N
InChi [?]:
InChI=1/C12H12N10/c13-9-17-7(18-10(14)21-9)5-3-1-2-4-6(5)8-19-11(15)22-12(16)20-8/h1-4H,(H4,13,14,17,18,21)(H4,15,16,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,15,9,11,17,19,14,13,22,21,8,12,16,20,10,18/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCCNCNCNNNCNCNCNNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;s9;s4;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N10
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.65312
Area:462.348
Solvation:-1.90558
Coulombic:-103.877
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.291
H-Bond Donors:8
H-Bond Acceptors:4
XLogP:-2.21
LogP (Chemaxon):0.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue