Chemical ID: 4716031

c1ccc(cc1)Nc2[nH]ncn2
Chemical ID:
4716031
Name [?]:
N-phenyl-2H-1,2,4-triazol-3-amine
SMILES [?]:
c1ccc(cc1)Nc2[nH]ncn2
InChi [?]:
InChI=1/C8H8N4/c1-2-4-7(5-3-1)11-8-9-6-10-12-8/h1-6H,(H2,9,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,4,8,12,10,7,9/E:(2,3)(4,5)/rA:12nCCCCCCNCNNCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.13188
Area:318.343
Solvation:-1.8267
Coulombic:-28.0935
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:1.64
LogP (Chemaxon):1.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue