Chemical ID: 4950473

COc1c2cn[nH]c2ncn1
Chemical ID:
4950473
Name [?]:
2-methoxy-3,5,7,8-tetrazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
COc1c2cn[nH]c2ncn1
InChi [?]:
InChI=1/C6H6N4O/c1-11-6-4-2-9-10-5(4)7-3-8-6/h2-3H,1H3,(H,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,5,10,4,8,3,9,11,6,7,2/rA:11nCOCCCNNCNCN/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.11257
Area:292.094
Solvation:-2.18977
Coulombic:-28.3201
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.23
LogP (Chemaxon):0.51

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