Home Carboxys 5-methyl-2-(pyridin-3-yl)-2H-1,2,3-triazole-4-carboxylic acid

5-methyl-2-(pyridin-3-yl)-2H-1,2,3-triazole-4-carboxylic acid

CAS No.:
933744-29-7
Catalog Number:
AG01BXHE
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
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Product Description
Catalog Number:
AG01BXHE
Chemical Name:
5-methyl-2-(pyridin-3-yl)-2H-1,2,3-triazole-4-carboxylic acid
CAS Number:
933744-29-7
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
MDL Number:
MFCD30497678
IUPAC Name:
5-methyl-2-pyridin-3-yltriazole-4-carboxylic acid
InChI:
InChI=1S/C9H8N4O2/c1-6-8(9(14)15)12-13(11-6)7-3-2-4-10-5-7/h2-5H,1H3,(H,14,15)
InChI Key:
FEHCYCGOQRQPHI-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(nc1C)c1cccnc1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties