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Chemical ID: 7463657
Chemical ID:
7463657
Name [?]:
5-oxo-2-(p-tolyl)-1,2,4-triazine-6-carbonitrile
SMILES [?]:
Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
InChi [?]:
InChI=1/C11H8N4O/c1-8-2-4-9(5-3-8)15-7-13-11(16)10(6-12)14-15/h2-5,7H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,15,9,2,5,13,11,16,10,14,8,12/E:(2,3)(4,5)/rA:16nCCCCCCCNCNCOCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s8d13;s13;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8N4O |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.66801 |
Area: | 393.199 |
Solvation: | -2.16197 |
Coulombic: | -25.8918 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.4 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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