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159494-27-6 | 1,2,4-Triazin-3(2H)-one, 5-amino-2-(tetrahydro-2-furanyl)-
CAS No: 159494-27-6 Catalog No: AG001R3M MDL No:
Product Description
Catalog Number:
AG001R3M
Chemical Name:
1,2,4-Triazin-3(2H)-one, 5-amino-2-(tetrahydro-2-furanyl)-
CAS Number:
159494-27-6
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
IUPAC Name:
5-amino-2-(oxolan-2-yl)-1,2,4-triazin-3-one
InChI:
InChI=1S/C7H10N4O2/c8-5-4-9-11(7(12)10-5)6-2-1-3-13-6/h4,6H,1-3H2,(H2,8,10,12)
InChI Key:
JSPJPNQZMGMWJV-UHFFFAOYSA-N
SMILES:
Nc1cnn(c(=O)n1)C1CCCO1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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