Chemical ID: 4705379

CCOC(=O)c1cn2cccnc2n1
Chemical ID:
4705379
Name [?]:
ethyl 1,5,7-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylate
SMILES [?]:
CCOC(=O)c1cn2cccnc2n1
InChi [?]:
InChI=1/C9H9N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,7,6,4,13,12,14,8,5,3/rA:14nCCOCOCCNCCCNCN/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s8s12;s6d13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9N3O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.66759
Area:365.231
Solvation:-2.46318
Coulombic:-37.3756
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.187
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.66
LogP (Chemaxon):0.75

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Descriptor Annotations

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