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860175-75-3 | 5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CAS No: 860175-75-3 Catalog No: AG019DBW MDL No:MFCD09701757
Product Description
Catalog Number:
AG019DBW
Chemical Name:
5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CAS Number:
860175-75-3
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD09701757
IUPAC Name:
5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
InChI:
InChI=1S/C7H6N4O2/c1-4-2-5(6(12)13)11-7(10-4)8-3-9-11/h2-3H,1H3,(H,12,13)
InChI Key:
RKAWJDPFMFPHRW-UHFFFAOYSA-N
SMILES:
Cc1nc2ncnn2c(c1)C(=O)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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