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Chemical ID: 6664170
Chemical ID:
6664170
Name [?]:
8-methyl-2,4,5-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-3-amine
SMILES [?]:
Cc1ccc2c(c1)nnc(n2)N
InChi [?]:
InChI=1/C8H8N4/c1-5-2-3-6-7(4-5)11-12-8(9)10-6/h2-4H,1H3,(H2,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,5,6,10,12,11,8,9/rA:12nCCCCCCCNNCNN/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.6159 |
Area: | 311.9 |
Solvation: | -1.18158 |
Coulombic: | -28.1306 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 160.176 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.18 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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