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1306738-89-5 | 1,2,4-Triazolo[4,3-a]pyridine-6-carboxylic acid, 3-amino-
CAS No: 1306738-89-5 Catalog No: AG000URP MDL No:MFCD19103372
Product Description
Catalog Number:
AG000URP
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine-6-carboxylic acid, 3-amino-
CAS Number:
1306738-89-5
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD19103372
IUPAC Name:
3-amino-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
InChI:
InChI=1S/C7H6N4O2/c8-7-10-9-5-2-1-4(6(12)13)3-11(5)7/h1-3H,(H2,8,10)(H,12,13)
InChI Key:
PYFBZFHVWCARRH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2n(c1)c(N)nn2
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:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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