Chemical ID: 4913923

CC(=O)OCc1c2n(nn1)CCC2
Chemical ID:
4913923
Name [?]:
5,6,7-triazabicyclo[3.3.0]octa-6,8-dien-8-ylmethyl acetate
SMILES [?]:
CC(=O)OCc1c2n(nn1)CCC2
InChi [?]:
InChI=1/C8H11N3O2/c1-6(12)13-5-7-8-3-2-4-11(8)10-9-7/h2-5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,5,2,6,7,10,9,8,3,4/rA:13nCCOOCCCNNNCCC/rB:s1;d2;s2;s4;s5;d6;s7;s8;s6d9;s8;s11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H11N3O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.84411
Area:354.877
Solvation:-3.0278
Coulombic:-19.6916
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.192
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.06
LogP (Chemaxon):-0.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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