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98175-84-9 | 1-Phenyl-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridine
CAS No: 98175-84-9 Catalog No: AG019DJ0 MDL No:MFCD01085856
Product Description
Catalog Number:
AG019DJ0
Chemical Name:
1-Phenyl-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridine
CAS Number:
98175-84-9
Molecular Formula:
C11H12N4
Molecular Weight:
200.2398
MDL Number:
MFCD01085856
IUPAC Name:
1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
InChI:
InChI=1S/C11H12N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-5,12H,6-8H2
InChI Key:
YNYQXVGPQRXGCM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)n1nnc2c1CCNC2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.106g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.245g/mol
Monoisotopic Mass:
200.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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