Chemical ID: 5056648

Cn1c2c(c(=O)[nH]1)nccn2
Chemical ID:
5056648
Name [?]:
9-methyl-2,5,8,9-tetrazabicyclo[4.3.0]nona-1,3,5-trien-7-one
SMILES [?]:
Cn1c2c(c(=O)[nH]1)nccn2
InChi [?]:
InChI=1/C6H6N4O/c1-10-5-4(6(11)9-10)7-2-3-8-5/h2-3H,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,9,10,4,3,5,8,11,7,2,6/rA:11nCNCCCONNCCN/rB:s1;s2;s3;s4;d5;s2s5;d4;s8;d9;d3s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6N4O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.07284
Area:294.445
Solvation:-2.28828
Coulombic:-33.4144
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:150.138
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:-0.45
LogP (Chemaxon):-0.75

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