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Home > Nitro Compounds > 321431-10-1
321431-10-1 | 5-methyl-1-(4-nitrophenyl)-N-propyl-1H-1,2,4-triazole-3-carboxamide
CAS No: 321431-10-1 Catalog No: AG00IOBR MDL No:MFCD00173076
Product Description
Catalog Number:
AG00IOBR
Chemical Name:
5-methyl-1-(4-nitrophenyl)-N-propyl-1H-1,2,4-triazole-3-carboxamide
CAS Number:
321431-10-1
Molecular Formula:
C13H15N5O3
Molecular Weight:
289.2899
MDL Number:
MFCD00173076
IUPAC Name:
5-methyl-1-(4-nitrophenyl)-N-propyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C13H15N5O3/c1-3-8-14-13(19)12-15-9(2)17(16-12)10-4-6-11(7-5-10)18(20)21/h4-7H,3,8H2,1-2H3,(H,14,19)
InChI Key:
ZROVYSQYRGKORG-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1nn(c(n1)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.295g/mol
Monoisotopic Mass:
289.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| 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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