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Home > Pyridines > 121845-60-1
121845-60-1 | Benzonitrile, 4-pyrido[3,4-e]-1,2,4-triazin-3-yl-
CAS No: 121845-60-1 Catalog No: AG00164Y MDL No:
Product Description
Catalog Number:
AG00164Y
Chemical Name:
Benzonitrile, 4-pyrido[3,4-e]-1,2,4-triazin-3-yl-
CAS Number:
121845-60-1
Molecular Formula:
C13H7N5
Molecular Weight:
233.2282
IUPAC Name:
4-pyrido[3,4-e][1,2,4]triazin-3-ylbenzonitrile
InChI:
InChI=1S/C13H7N5/c14-7-9-1-3-10(4-2-9)13-16-12-8-15-6-5-11(12)17-18-13/h1-6,8H
InChI Key:
KVYRBRIPUAHYGR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1nnc2c(n1)cncc2
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.234g/mol
Monoisotopic Mass:
233.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Pyrido[3,4-e]-1,2,4-triazines and related heterocycles as potential antifungal agents. | Journal of medicinal chemistry 19891101 |
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