Chemical ID: 5567413

c1ccc(cc1)Nc2c(nn[nH]2)c3ccccn3
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

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Descriptor Annotations

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