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89488-18-6 | 7-amino[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS No: 89488-18-6 Catalog No: AG003ALS MDL No:MFCD11058063
Product Description
Catalog Number:
AG003ALS
Chemical Name:
7-amino[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CAS Number:
89488-18-6
Molecular Formula:
C6H5N5O2
Molecular Weight:
179.1362
MDL Number:
MFCD11058063
IUPAC Name:
7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C6H5N5O2/c7-4-3(5(12)13)1-8-6-9-2-10-11(4)6/h1-2H,7H2,(H,12,13)
InChI Key:
PTSICDOKXJVZBO-UHFFFAOYSA-N
SMILES:
Nc1c(cnc2n1ncn2)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:
179.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.139g/mol
Monoisotopic Mass:
179.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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