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121845-80-5 | Pyrido[3,4-e]-1,2,4-triazin-8-amine, 3,5,7-trimethyl-
CAS No: 121845-80-5 Catalog No: AG00164I MDL No:
Product Description
Catalog Number:
AG00164I
Chemical Name:
Pyrido[3,4-e]-1,2,4-triazin-8-amine, 3,5,7-trimethyl-
CAS Number:
121845-80-5
Molecular Formula:
C9H11N5
Molecular Weight:
189.2171
IUPAC Name:
3,5,7-trimethylpyrido[3,4-e][1,2,4]triazin-8-amine
InChI:
InChI=1S/C9H11N5/c1-4-7(10)9-8(5(2)11-4)12-6(3)13-14-9/h10H2,1-3H3
InChI Key:
GDEPNWCPNVVBMR-UHFFFAOYSA-N
SMILES:
Cc1nnc2c(n1)c(C)nc(c2N)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.222g/mol
Monoisotopic Mass:
189.101g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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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