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Chemical ID: 6420741
Chemical ID:
6420741
Name [?]:
4-methyl-9-[2-(3-methyl-6,8,9-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-yl)ethyl]-1,7,8-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1ccn2c(c1)nnc2CCc3nnc4n3ccc(c4)C
InChi [?]:
InChI=1/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,11,12,3,19,4,18,7,21,2,20,10,13,6,16,9,14,8,15,5,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCNCCNNCCCCNNCNCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;d13;s14;d15;s13s16;s17;d18;s19;s16d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N6 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88092 |
Area: | 494.87 |
Solvation: | -2.49081 |
Coulombic: | -19.5805 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 292.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.16 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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