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Chemical ID: 5759983
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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