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1422066-00-9

1422066-00-9 | 2-(1-methyl-1H-pyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

CAS No: 1422066-00-9 Catalog No: AG01DK6T MDL No:

Product Description

Catalog Number:
AG01DK6T
Chemical Name:
2-(1-methyl-1H-pyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CAS Number:
1422066-00-9
Molecular Formula:
C11H16N4O
Molecular Weight:
220.2709
IUPAC Name:
2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
InChI:
InChI=1S/C11H16N4O/c1-14-6-9(5-13-14)15-8-11(4-10(15)16)2-3-12-7-11/h5-6,12H,2-4,7-8H2,1H3
InChI Key:
KJUWIGJIHRCAOI-UHFFFAOYSA-N
SMILES:
O=C1CC2(CN1c1cnn(c1)C)CNCC2

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.132g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.276g/mol
Monoisotopic Mass:
220.132g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9  

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