Chemical ID: 4907325

Cn1cnc2c(c(nn2c1=O)C#N)C#N
Chemical ID:
4907325
Name [?]:
4-methyl-5-oxo-2,4,6,7-tetrazabicyclo[4.3.0]nona-2,7,9-triene-8,9-dicarbonitrile
SMILES [?]:
Cn1cnc2c(c(nn2c1=O)C#N)C#N
InChi [?]:
InChI=1/C8H4N6O/c1-13-4-11-7-5(2-9)6(3-10)12-14(7)8(13)15/h4H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,12,3,6,7,5,10,15,13,4,8,2,9,11/rA:15nCNCNCCCNNCOCNCN/rB:s1;s2;d3;s4;d5;s6;d7;s5s8;s2s9;d10;s7;t12;s6;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4N6O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.42014
Area:371.959
Solvation:-2.87884
Coulombic:-34.6681
Bond Count [?]
All:16
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.157
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.13
LogP (Chemaxon):0.41

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