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89569-61-9 | 1,2,4-Triazolo[4,3-a]pyridine, 5,6,7,8-tetrahydro-3-phenyl-
CAS No: 89569-61-9 Catalog No: AG003Y2T MDL No:
Product Description
Catalog Number:
AG003Y2T
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 5,6,7,8-tetrahydro-3-phenyl-
CAS Number:
89569-61-9
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C12H13N3/c1-2-6-10(7-3-1)12-14-13-11-8-4-5-9-15(11)12/h1-3,6-7H,4-5,8-9H2
InChI Key:
YAFWREOXXLJOQZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2n1CCCC2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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