Chemical ID: 6142478

c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
Chemical ID:
6142478
Name [?]:
2-benzyl-1,2,4-triazine-3,5-dione
SMILES [?]:
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
InChi [?]:
InChI=1/C10H9N3O2/c14-9-6-11-13(10(15)12-9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,7,4,12,9,15,11,8,13,10/E:(2,3)(4,5)/rA:15nCCCCCCCNCONCOCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s12;s8d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.88332
Area:364.885
Solvation:-2.23879
Coulombic:-39.2808
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:203.197
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.15
LogP (Chemaxon):0.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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