Chemical ID: 5010596

Cc1cc2c(cc1nnc(c(nn2)N)N)C(C)C
Chemical ID:
5010596
Name [?]:
10-isopropyl-12-methyl-2,3,6,7-tetrazabicyclo[6.2.2]dodeca-2,4,6,9,11,13-hexaene-4,5-diamine
SMILES [?]:
Cc1cc2c(cc1nnc(c(nn2)N)N)C(C)C
InChi [?]:
InChI=1/C12H16N6/c1-6(2)8-5-9-7(3)4-10(8)16-18-12(14)11(13)17-15-9/h4-6H,1-3H3,(H2,13,17)(H2,14,18)
InChi Info:
AuxInfo=1/1/N:17,18,1,3,6,16,2,5,7,4,10,11,15,14,8,13,9,12/E:(1,2)/rA:18nCCCCCCCNNCCNNNNCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;w10;s11;s4w12;s11;s10;s5;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N6
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.07271
Area:388.919
Solvation:-1.65025
Coulombic:-42.6308
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:244.296
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:1.22
LogP (Chemaxon):0.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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