Chemical ID: 6046330

COc1c2cc[nH]c2nc(n1)OC
Chemical ID:
6046330
Name [?]:
2,4-dimethoxy-3,5,7-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
COc1c2cc[nH]c2nc(n1)OC
InChi [?]:
InChI=1/C8H9N3O2/c1-12-7-5-3-4-9-6(5)10-8(11-7)13-2/h3-4H,1-2H3,(H,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,5,6,4,8,3,10,7,9,11,2,12/rA:13nCOCCCCNCNCNOC/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s10;s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9N3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.61771
Area:329.866
Solvation:-2.62894
Coulombic:-41.0026
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.176
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.9
LogP (Chemaxon):1.62

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Descriptor Annotations

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