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Chemical ID: 5567413
Chemical ID:
5567413
Name [?]:
N-phenyl-5-(2-pyridyl)-3H-triazol-4-amine
SMILES [?]:
c1ccc(cc1)Nc2c(nn[nH]2)c3ccccn3
InChi [?]:
InChI=1/C13H11N5/c1-2-6-10(7-3-1)15-13-12(16-18-17-13)11-8-4-5-9-14-11/h1-9H,(H2,15,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,4,13,9,8,18,7,10,12,11/E:(2,3)(6,7)/rA:18nCCCCCCNCCNNNCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s9;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11N5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.55305 |
Area: | 417.36 |
Solvation: | -1.88096 |
Coulombic: | -27.7491 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.26 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.59 |
LogP (Chemaxon): | 2.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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