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1464091-55-1 | Acetamide, N-(5-cyclopropyl-1,2,4,7-tetrahydro-2,7-dioxopyrazolo[1,5-a]pyrimidin-3-yl)-
CAS No: 1464091-55-1 Catalog No: AG001DZF MDL No:
Product Description
Catalog Number:
AG001DZF
Chemical Name:
Acetamide, N-(5-cyclopropyl-1,2,4,7-tetrahydro-2,7-dioxopyrazolo[1,5-a]pyrimidin-3-yl)-
CAS Number:
1464091-55-1
Molecular Formula:
C11H12N4O3
Molecular Weight:
248.2380
IUPAC Name:
N-(5-cyclopropyl-2,7-dioxo-1,4-dihydropyrazolo[1,5-a]pyrimidin-3-yl)acetamide
InChI:
InChI=1S/C11H12N4O3/c1-5(16)12-9-10-13-7(6-2-3-6)4-8(17)15(10)14-11(9)18/h4,6,13H,2-3H2,1H3,(H,12,16)(H,14,18)
InChI Key:
QTPIPIPUCYJMCH-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1c(=O)[nH]n2c1[nH]c(cc2=O)C1CC1
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.242g/mol
Monoisotopic Mass:
248.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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