Chemical ID: 4085778

CCOC(=O)Cc1c(=O)[nH]c(=O)[nH]n1
Chemical ID:
4085778
Name [?]:
ethyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
SMILES [?]:
CCOC(=O)Cc1c(=O)[nH]c(=O)[nH]n1
InChi [?]:
InChI=1/C7H9N3O4/c1-2-14-5(11)3-4-6(12)8-7(13)10-9-4/h2-3H2,1H3,(H2,8,10,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,4,8,11,10,14,13,5,9,12,3/rA:14nCCOCOCCCONCONN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;d11;s11;d7s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9N3O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.76918
Area:367.24
Solvation:-3.41181
Coulombic:-58.1474
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:199.164
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.37
LogP (Chemaxon):-0.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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