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18159-94-9 | 1H-Pyrazolo[1,2-a]pyridazin-1-one, 3-cyclopropyl-5,6,7,8-tetrahydro-2-(2-hydroxyethyl)-
CAS No: 18159-94-9 Catalog No: AG0022YN MDL No:
Product Description
Catalog Number:
AG0022YN
Chemical Name:
1H-Pyrazolo[1,2-a]pyridazin-1-one, 3-cyclopropyl-5,6,7,8-tetrahydro-2-(2-hydroxyethyl)-
CAS Number:
18159-94-9
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
1-cyclopropyl-2-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
InChI:
InChI=1S/C12H18N2O2/c15-8-5-10-11(9-3-4-9)13-6-1-2-7-14(13)12(10)16/h9,15H,1-8H2
InChI Key:
LOVHTHXWMDCXED-UHFFFAOYSA-N
SMILES:
OCCc1c(C2CC2)n2n(c1=O)CCCC2
UNII:
BFF1N7EN12
NSC Number:
120311
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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