Chemical ID: 5759983

c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
Chemical ID:
5759983
Name [?]:
N,3-diphenyl-5-(2H-pyrazol-3-yl)triazol-4-amine
SMILES [?]:
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
InChi [?]:
InChI=1/C17H14N6/c1-3-7-13(8-4-1)19-17-16(15-11-12-18-20-15)21-22-23(17)14-9-5-2-6-10-14/h1-12,19H,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,16,2,6,15,17,3,5,14,18,20,21,4,13,19,9,8,22,7,23,10,11,12/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCNCCNNNCCCCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s9;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.67578
Area:494.502
Solvation:-2.68677
Coulombic:-27.9286
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.333
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.9
LogP (Chemaxon):2.74

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Descriptor Annotations

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