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121845-62-3 | Benzenamine, N,N-dimethyl-4-pyrido[3,4-e]-1,2,4-triazin-3-yl-
CAS No: 121845-62-3 Catalog No: AG00164W MDL No:
Product Description
Catalog Number:
AG00164W
Chemical Name:
Benzenamine, N,N-dimethyl-4-pyrido[3,4-e]-1,2,4-triazin-3-yl-
CAS Number:
121845-62-3
Molecular Formula:
C14H13N5
Molecular Weight:
251.2865
IUPAC Name:
N,N-dimethyl-4-pyrido[3,4-e][1,2,4]triazin-3-ylaniline
InChI:
InChI=1S/C14H13N5/c1-19(2)11-5-3-10(4-6-11)14-16-13-9-15-8-7-12(13)17-18-14/h3-9H,1-2H3
InChI Key:
VMCOUAAPOBDSCN-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1nnc2c(n1)cncc2)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.117g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.293g/mol
Monoisotopic Mass:
251.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^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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