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88974-89-4 | 1,2,4-Triazolo[4,3-a]pyridine, 3-(3,4,5-trimethoxyphenyl)-
CAS No: 88974-89-4 Catalog No: AG0045B6 MDL No:
Product Description
Catalog Number:
AG0045B6
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 3-(3,4,5-trimethoxyphenyl)-
CAS Number:
88974-89-4
Molecular Formula:
C15H15N3O3
Molecular Weight:
285.2979
IUPAC Name:
3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C15H15N3O3/c1-19-11-8-10(9-12(20-2)14(11)21-3)15-17-16-13-6-4-5-7-18(13)15/h4-9H,1-3H3
InChI Key:
RMSLTVYRNXGZOL-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1nnc2n1cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.303g/mol
Monoisotopic Mass:
285.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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