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Chemical ID: 5051901
Chemical ID:
5051901
Name [?]:
9-methyl-3,5,7,8,10-pentazabicyclo[4.4.0]deca-2,4,6,8,10-pentaen-2-amine
SMILES [?]:
Cc1nc2c(ncnc2nn1)N
InChi [?]:
InChI=1/C6H6N6/c1-3-10-4-5(7)8-2-9-6(4)12-11-3/h2H,1H3,(H2,7,8,9,12)
InChi Info:
AuxInfo=1/1/N:1,7,2,4,5,9,12,6,8,3,11,10/rA:12nCCNCCNCNCNNN/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.21783 |
Area: | 307.932 |
Solvation: | -1.48047 |
Coulombic: | -37.3354 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 162.152 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | -1.03 |
LogP (Chemaxon): | -0.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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