Chemical ID: 5254552

c1cncc2c1nc[nH]2
Chemical ID:
5254552
Name [?]:
3,7,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
c1cncc2c1nc[nH]2
InChi [?]:
InChI=1/C6H5N3/c1-2-7-3-6-5(1)8-4-9-6/h1-4H,(H,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,6,5,3,7,9/rA:9nCCNCCCNCN/rB:s1;d2;s3;d4;d1s5;s6;d7;s5s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H5N3
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.69576
Area:256.161
Solvation:-1.70826
Coulombic:-20.0865
Bond Count [?]
All:10
Single:6
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:119.124
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.06
LogP (Chemaxon):0.23

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue