Chemical ID: 5793966

c1(nc([nH]n1)N)C(F)(F)F
Chemical ID:
5793966
Name [?]:
5-(trifluoromethyl)-2H-1,2,4-triazol-3-amine
SMILES [?]:
c1(nc([nH]n1)N)C(F)(F)F
InChi [?]:
InChI=1/C3H3F3N4/c4-3(5,6)1-8-2(7)10-9-1/h(H3,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,7,8,9,10,6,2,5,4/E:(4,5,6)/rA:10nCNCNNNCFFF/rB:s1;d2;s3;d1s4;s3;s1;s7;s7;s7;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C3H3F3N4
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.93866
Area:262.186
Solvation:-1.61598
Coulombic:-53.3175
Bond Count [?]
All:10
Single:8
Double:2
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.078
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:0.45
LogP (Chemaxon):1.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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