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Chemical ID: 4905323
Chemical ID:
4905323
Name [?]:
3,4,7,9-tetrazabicyclo[4.3.0]nona-1,3,5,7-tetraene-2,5-diamine
SMILES [?]:
c1[nH]c2c(n1)c(nnc2N)N
InChi [?]:
InChI=1/C5H6N6/c6-4-2-3(9-1-8-2)5(7)11-10-4/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,6,10,11,2,5,8,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)/gE:(1,2)/rA:11nCNCCNCNNCNN/rB:s1;s2;s3;d1s4;d4;s6;d7;d3s8;s9;s6;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C5H6N6 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.63753 |
Area: | 291.289 |
Solvation: | -1.64469 |
Coulombic: | -53.6321 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 150.142 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | -1.37 |
LogP (Chemaxon): | -1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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