Chemical ID: 3954049

c1cc(ccc1n2c(c(nn2)C(=O)N)N)F
Chemical ID:
3954049
Name [?]:
5-amino-1-(4-fluorophenyl)-triazole-4-carboxamide
SMILES [?]:
c1cc(ccc1n2c(c(nn2)C(=O)N)N)F
InChi [?]:
InChI=1/C9H8FN5O/c10-5-1-3-6(4-2-5)15-8(11)7(9(12)16)13-14-15/h1-4H,11H2,(H2,12,16)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,3,6,9,8,12,16,15,14,10,11,7,13/E:(1,2)(3,4)/rA:16nCCCCCCNCCNNCONNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s9;d12;s12;s8;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8FN5O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.70367
Area:373.056
Solvation:-2.62274
Coulombic:-51.9665
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.191
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:0.63
LogP (Chemaxon):0.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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