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1214902-53-0 | [1,2,4]Triazolo[1,5-a]pyridine-5-carboxylic acid, 2-amino-, methyl ester
CAS No: 1214902-53-0 Catalog No: AG00151Y MDL No:
Product Description
Catalog Number:
AG00151Y
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyridine-5-carboxylic acid, 2-amino-, methyl ester
CAS Number:
1214902-53-0
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
IUPAC Name:
methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
InChI:
InChI=1S/C8H8N4O2/c1-14-7(13)5-3-2-4-6-10-8(9)11-12(5)6/h2-4H,1H3,(H2,9,11)
InChI Key:
AFCPXIWBBSGHAO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2n1nc(n2)N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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