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Chemical ID: 6649411
Chemical ID:
6649411
Name [?]:
N-phenyl-3H-triazol-4-amine
SMILES [?]:
c1ccc(cc1)Nc2cnn[nH]2
InChi [?]:
InChI=1/C8H8N4/c1-2-4-7(5-3-1)10-8-6-9-12-11-8/h1-6H,(H2,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,4,8,10,7,12,11/E:(2,3)(4,5)/rA:12nCCCCCCNCCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.10075 |
Area: | 319.147 |
Solvation: | -1.87793 |
Coulombic: | -20.2787 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 160.176 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.49 |
LogP (Chemaxon): | 0.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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