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Chemical ID: 4914374
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
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Experimental Annotations
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Descriptor Annotations
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