Chemical ID: 5259888

COc1nc2ccccc2nn1
Chemical ID:
5259888
Name [?]:
9-methoxy-7,8,10-triazabicyclo[4.4.0]deca-2,4,6,8,10-pentaene
SMILES [?]:
COc1nc2ccccc2nn1
InChi [?]:
InChI=1/C8H7N3O/c1-12-8-9-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,6,9,5,10,3,4,11,12,2/rA:12nCOCNCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;s7;d8;s5s9;d10;d3s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7N3O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.04308
Area:311.262
Solvation:-1.73847
Coulombic:-21.876
Bond Count [?]
All:13
Single:8
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:161.161
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.47
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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