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Chemical ID: 7437869
Chemical ID:
7437869
Name [?]:
3,5-dimethyl-2,8,9-triazabicyclo[4.3.0]nona-3,5,7,9-tetraen-7-amine
SMILES [?]:
Cc1cc([nH]c-2nnc(c12)N)C
InChi [?]:
InChI=1/C8H10N4/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H3,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,3,2,4,10,9,6,11,5,8,7/rA:12nCCCCNCNNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d2s6s9;s9;s4;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N4 |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.49225 |
Area: | 314.415 |
Solvation: | -1.36811 |
Coulombic: | -31.8595 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.192 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.54 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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