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

4-methyl-2-(4H-1,2,4-triazol-3-yl)pyrimidine-5-carboxylic acid

CAS No.:
1247418-14-9
Catalog Number:
AG01BN9X
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
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Product Description
Catalog Number:
AG01BN9X
Chemical Name:
4-methyl-2-(4H-1,2,4-triazol-3-yl)pyrimidine-5-carboxylic acid
CAS Number:
1247418-14-9
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
MDL Number:
MFCD16082765
IUPAC Name:
4-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C8H7N5O2/c1-4-5(8(14)15)2-9-6(12-4)7-10-3-11-13-7/h2-3H,1H3,(H,14,15)(H,10,11,13)
InChI Key:
MUVCALKZMCNFQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1C)c1nnc[nH]1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties