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1803605-86-8 | 5-[methyl(propan-2-yl)amino]-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one
CAS No: 1803605-86-8 Catalog No: AG01BE0Y MDL No:MFCD28246222
Product Description
Catalog Number:
AG01BE0Y
Chemical Name:
5-[methyl(propan-2-yl)amino]-2-(piperidin-3-yl)-2,3-dihydropyridazin-3-one
CAS Number:
1803605-86-8
Molecular Formula:
C13H22N4O
Molecular Weight:
250.3400
MDL Number:
MFCD28246222
IUPAC Name:
5-[methyl(propan-2-yl)amino]-2-piperidin-3-ylpyridazin-3-one
InChI:
InChI=1S/C13H22N4O/c1-10(2)16(3)12-7-13(18)17(15-9-12)11-5-4-6-14-8-11/h7,9-11,14H,4-6,8H2,1-3H3
InChI Key:
LTIUITKHXCPNRI-UHFFFAOYSA-N
SMILES:
CC(N(c1cnn(c(=O)c1)C1CCCNC1)C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.179g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.346g/mol
Monoisotopic Mass:
250.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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