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Home > Pyridines > 121845-47-4
121845-47-4 | Pyrido[3,4-e]-1,2,4-triazine, 3-(1,1-dimethylethyl)-
CAS No: 121845-47-4 Catalog No: AG00163V MDL No:
Product Description
Catalog Number:
AG00163V
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazine, 3-(1,1-dimethylethyl)-
CAS Number:
121845-47-4
Molecular Formula:
C10H12N4
Molecular Weight:
188.2291
IUPAC Name:
3-tert-butylpyrido[3,4-e][1,2,4]triazine
InChI:
InChI=1S/C10H12N4/c1-10(2,3)9-12-8-6-11-5-4-7(8)13-14-9/h4-6H,1-3H3
InChI Key:
ISNIXAJRVMVQES-UHFFFAOYSA-N
SMILES:
CC(c1nnc2c(n1)cncc2)(C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.234g/mol
Monoisotopic Mass:
188.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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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