Chemical ID: 7463657

Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
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

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Experimental Annotations

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Descriptor Annotations

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