C1=NNN=C1C(=O)O
CAS: 16681-70-2
Name: 2H-triazole-4-carboxylic acid
SMILES: C1=NNN=C1C(=O)O

Molecular Processing

Molecular formula
C3H3N3O2
Molecular weight
113.08
Exact mass
113.0225
XLogP
-0.5
TPSA
78.87
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
23.34

Supplementary Information

InChIKey: GTODOEDLCNTSLG-UHFFFAOYSA-N
Synonyme
1,2,3-triazole-4-carboxylic acidRefChem:410834689-203-916681-70-21H-1,2,3-triazole-4-carboxylic acid2H-1,2,3-triazole-4-carboxylic acid1H-1,2,3-Triazole-5-carboxylic acid1H-[1,2,3]triazole-4-carboxylic acid573714-78-02H-triazole-4-carboxylic acid4-Carboxy-1,2,3-triazole3H-1,2,3-triazole-4-carboxylic acid3H-[1,2,3]Triazole-4-carboxylic acid4343-72-05-Carboxy-1,2,3-triazoleMFCD00196046F2196-0070NSC77700Triazole, TRZ10MFCD00039676triazole carboxylic acidtriazole-5-carboxylic acidSCHEMBL524791,2,3-triazole-4-carboxylicSCHEMBL1074979SCHEMBL1196627SCHEMBL1948472SCHEMBL3396305SCHEMBL5350680SCHEMBL8633210
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