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88066-79-9 | 1,2,4-Triazolo[4,3-a]pyrazine, 6-(3-methoxyphenyl)-
CAS No: 88066-79-9 Catalog No: AG004KRG MDL No:
Product Description
Catalog Number:
AG004KRG
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine, 6-(3-methoxyphenyl)-
CAS Number:
88066-79-9
Molecular Formula:
C12H10N4O
Molecular Weight:
226.2340
IUPAC Name:
6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C12H10N4O/c1-17-10-4-2-3-9(5-10)11-7-16-8-14-15-12(16)6-13-11/h2-8H,1H3
InChI Key:
QPTXNNCAQUAEHX-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ncc2n(c1)cnn2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.085g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.239g/mol
Monoisotopic Mass:
226.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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