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Chemical ID: 5111392
Chemical ID:
5111392
Name [?]:
3,7,9-triazabicyclo[4.3.0]nona-1,3,5,8-tetraen-2-amine
SMILES [?]:
c1cnc(c2c1[nH]cn2)N
InChi [?]:
InChI=1/C6H6N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H2,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,5,4,10,3,7,9/rA:10nCCNCCCNCNN/rB:s1;d2;s3;d4;d1s5;s6;s7;s5d8;s4;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.10863 |
Area: | 274.224 |
Solvation: | -1.74695 |
Coulombic: | -37.3899 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 134.139 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | -0.02 |
LogP (Chemaxon): | -0.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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