Chemical ID: 4912352

COC=Nc1cn2c(n1)CN=C2
Chemical ID:
4912352
Name [?]:
1-methoxy-N-(1,3,6-triazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)methanimine
SMILES [?]:
COC=Nc1cn2c(n1)CN=C2
InChi [?]:
InChI=1/C7H8N4O/c1-12-5-9-6-3-11-4-8-2-7(11)10-6/h3-5H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,6,12,3,5,8,11,4,9,7,2/rA:12nCOCNCCNCNCNC/rB:s1;s2;w3;s4;d5;s6;s7;s5d8;s8;s10;s7d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N4O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.5459
Area:322.925
Solvation:-3.52723
Coulombic:-27.5548
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:164.165
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-0.42
LogP (Chemaxon):0.9

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue