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Chemical ID: 6142478
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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