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121845-82-7 | Pyrido[3,4-e]-1,2,4-triazin-8-amine, 5,7-dimethyl-3-(4-pyridinyl)-
CAS No: 121845-82-7 Catalog No: AG00164G MDL No:
Product Description
Catalog Number:
AG00164G
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazin-8-amine, 5,7-dimethyl-3-(4-pyridinyl)-
CAS Number:
121845-82-7
Molecular Formula:
C13H12N6
Molecular Weight:
252.2746
IUPAC Name:
5,7-dimethyl-3-pyridin-4-ylpyrido[3,4-e][1,2,4]triazin-8-amine
InChI:
InChI=1S/C13H12N6/c1-7-10(14)12-11(8(2)16-7)17-13(19-18-12)9-3-5-15-6-4-9/h3-6H,14H2,1-2H3
InChI Key:
HDNSTRPKPZGAGR-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c2c(c1N)nnc(n2)c1ccncc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.112g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.281g/mol
Monoisotopic Mass:
252.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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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