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Home > Pyridines > 121845-90-7
121845-90-7 | Pyrido[3,4-e]-1,2,4-triazine, 3-ethyl-3,4-dihydro-3-(phenylmethyl)-
CAS No: 121845-90-7 Catalog No: AG00165L MDL No:
Product Description
Catalog Number:
AG00165L
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazine, 3-ethyl-3,4-dihydro-3-(phenylmethyl)-
CAS Number:
121845-90-7
Molecular Formula:
C15H16N4
Molecular Weight:
252.3143
IUPAC Name:
3-benzyl-3-ethyl-4H-pyrido[3,4-e][1,2,4]triazine
InChI:
InChI=1S/C15H16N4/c1-2-15(10-12-6-4-3-5-7-12)17-14-11-16-9-8-13(14)18-19-15/h3-9,11,17H,2,10H2,1H3
InChI Key:
AAVGYAJINOGMOV-UHFFFAOYSA-N
SMILES:
CCC1(N=Nc2c(N1)cncc2)Cc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.137g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.321g/mol
Monoisotopic Mass:
252.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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