Chemical ID: 5142640

Cc1cc(nc2c1c(=N)[nH][nH]2)C
Chemical ID:
5142640
Name [?]:
3,5-dimethyl-2,8,9-triazabicyclo[4.3.0]nona-1,3,5-trien-7-imine
SMILES [?]:
Cc1cc(nc2c1c(=N)[nH][nH]2)C
InChi [?]:
InChI=1/C8H10N4/c1-4-3-5(2)10-8-6(4)7(9)11-12-8/h3H,1-2H3,(H3,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,12,3,2,4,7,8,6,9,5,10,11/rA:12nCCCCNCCCNNNC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s8;s6s10;s4;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.10557
Area:314.571
Solvation:-1.75872
Coulombic:-33.7892
Bond Count [?]
All:13
Single:9
Double:4
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:162.192
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.35
LogP (Chemaxon):0.73

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Experimental Annotations

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Descriptor Annotations

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