Chemical ID: 7100235

c1ccc(cc1)n2c(c(nn2)C(=O)O)N
Chemical ID:
7100235
Name [?]:
5-amino-1-phenyl-triazole-4-carboxylic acid
SMILES [?]:
c1ccc(cc1)n2c(c(nn2)C(=O)O)N
InChi [?]:
InChI=1/C9H8N4O2/c10-8-7(9(14)15)11-12-13(8)6-4-2-1-3-5-6/h1-5H,10H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,8,12,15,10,11,7,13,14/E:(2,3)(4,5)(14,15)/rA:15nCCCCCCNCCNNCOON/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s12;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N4O2
All Atoms:23
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.21946
Area:364.732
Solvation:-1.89883
Coulombic:-50.6017
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.186
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.41
LogP (Chemaxon):1.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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