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825611-96-9 | 1H-1,2,3-Triazolo[4,5-c]pyridin-6-amine, 4-methoxy-
CAS No: 825611-96-9 Catalog No: AG005DXA MDL No:
Product Description
Catalog Number:
AG005DXA
Chemical Name:
1H-1,2,3-Triazolo[4,5-c]pyridin-6-amine, 4-methoxy-
CAS Number:
825611-96-9
Molecular Formula:
C6H7N5O
Molecular Weight:
165.1527
IUPAC Name:
4-methoxy-2H-triazolo[4,5-c]pyridin-6-amine
InChI:
InChI=1S/C6H7N5O/c1-12-6-5-3(9-11-10-5)2-4(7)8-6/h2H,1H3,(H2,7,8)(H,9,10,11)
InChI Key:
NYNZRUZKZRTVHL-UHFFFAOYSA-N
SMILES:
COc1nc(N)cc2c1nn[nH]2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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