Chemical ID: 4742013

Cc1cc2[nH]c(=N)[nH]c(=N)n2n1
Chemical ID:
4742013
Name [?]:
8-methyl-2,4,6,7-tetrazabicyclo[4.3.0]nona-7,9-diene-3,5-diimine
SMILES [?]:
Cc1cc2[nH]c(=N)[nH]c(=N)n2n1
InChi [?]:
InChI=1/C6H8N6/c1-3-2-4-9-5(7)10-6(8)12(4)11-3/h2H,1H3,(H4,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,2,4,6,9,7,10,5,8,12,11/rA:12nCCCCNCNNCNNN/rB:s1;s2;d3;s4;s5;w6;s6;s8;w9;s4s9;d2s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N6
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.83612
Area:314.607
Solvation:-3.02906
Coulombic:-49.2317
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:2
Rigid Segments:1
Chemical Properties
Molecular Weight:164.168
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.89
LogP (Chemaxon):0.93

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Descriptor Annotations

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