Chemical ID: 6664170

Cc1ccc2c(c1)nnc(n2)N
Chemical ID:
6664170
Name [?]:
8-methyl-2,4,5-triazabicyclo[4.4.0]deca-1,3,5,7,9-pentaen-3-amine
SMILES [?]:
Cc1ccc2c(c1)nnc(n2)N
InChi [?]:
InChI=1/C8H8N4/c1-5-2-3-6-7(4-5)11-12-8(9)10-6/h2-4H,1H3,(H2,9,10,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,5,6,10,12,11,8,9/rA:12nCCCCCCCNNCNN/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.6159
Area:311.9
Solvation:-1.18158
Coulombic:-28.1306
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:160.176
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.18
LogP (Chemaxon):0.75

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Descriptor Annotations

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