Chemical ID: 6290861

Cc1cc2[nH]nc(n2n1)c3ccccc3
Chemical ID:
6290861
Name [?]:
7-methyl-4-phenyl-2,3,5,6-tetrazabicyclo[3.3.0]octa-3,6,8-triene
SMILES [?]:
Cc1cc2[nH]nc(n2n1)c3ccccc3
InChi [?]:
InChI=1/C11H10N4/c1-8-7-10-12-13-11(15(10)14-8)9-5-3-2-4-6-9/h2-7,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,3,2,10,4,7,5,6,9,8/E:(3,4)(5,6)/rA:15nCCCCNNCNNCCCCCC/rB:s1;s2;d3;s4;s5;d6;s4s7;d2s8;s7;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.22705
Area:365.74
Solvation:-1.91646
Coulombic:-16.8565
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:198.224
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.25
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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