Chemical ID: 4914374

c1nc(c2n1CCC(=O)N2)C(=O)N
Chemical ID:
4914374
Name [?]:
3-oxo-2,6,8-triazabicyclo[4.3.0]nona-7,9-diene-9-carboxamide
SMILES [?]:
c1nc(c2n1CCC(=O)N2)C(=O)N
InChi [?]:
InChI=1/C7H8N4O2/c8-6(13)5-7-10-4(12)1-2-11(7)3-9-5/h3H,1-2H2,(H2,8,13)(H,10,12)
InChi Info:
AuxInfo=1/1/N:7,6,1,8,3,11,4,13,2,10,5,9,12/rA:13nCNCCNCCCONCON/rB:d1;s2;d3;s1s4;s5;s6;s7;d8;s4s8;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.35886
Area:327.058
Solvation:-2.81758
Coulombic:-56.6199
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:-1.16
LogP (Chemaxon):-1.14

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