Chemical ID: 4937707

c1nc(c2n1CC(=O)NC2)C(=O)N
Chemical ID:
4937707
Name [?]:
4-oxo-3,6,8-triazabicyclo[4.3.0]nona-7,9-diene-9-carboxamide
SMILES [?]:
c1nc(c2n1CC(=O)NC2)C(=O)N
InChi [?]:
InChI=1/C7H8N4O2/c8-7(13)6-4-1-9-5(12)2-11(4)3-10-6/h3H,1-2H2,(H2,8,13)(H,9,12)
InChi Info:
AuxInfo=1/1/N:10,6,1,4,7,3,11,13,9,2,5,8,12/rA:13nCNCCNCCONCCON/rB:d1;s2;d3;s1s4;s5;s6;d7;s7;s4s9;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.47454
Area:325.904
Solvation:-2.67306
Coulombic:-57.9694
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:180.164
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-1.65
LogP (Chemaxon):-2.53

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