Chemical ID: 6649411

c1ccc(cc1)Nc2cnn[nH]2
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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