(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide

C11H16N4O3 — CID 95711982

IUPAC(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide
SMILESC[C@@H](C(N)=O)n1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H16N4O3/c1-8(11(12)17)15-10(16)6-9(7-13-15)14-2-4-18-5-3-14/h6-8H,2-5H2,1H3,(H2,12,17)/t8-/m0/s1
InChIKeyQMTZJZKAYPAVMO-QMMMGPOBSA-N
MW252.27 g/mol
LogP-0.87
Rot. Bonds3

About (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide

(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide (PubChem CID 95711982) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide
PubChem CID95711982
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide
SMILESC[C@@H](C(N)=O)n1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C11H16N4O3/c1-8(11(12)17)15-10(16)6-9(7-13-15)14-2-4-18-5-3-14/h6-8H,2-5H2,1H3,(H2,12,17)/t8-/m0/s1
InChIKeyQMTZJZKAYPAVMO-QMMMGPOBSA-N
XLogP-0.87
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(2-aminoethyl)-4-morpholinyl]-6-oxo-1(6H)-pyridazinyl]-N-ethyl-N-methylacetamide
CID 56892429
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-morpholin-4-ylpyridazin-3-one
CID 114393531
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114393556
Ethyl 2-fluoro-2-[4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 114393937
5-Morpholin-4-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397510
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
N-cyclopentyl-2-(4-morpholin-4-yl-6-oxopyridazin-1(6H)-yl)butanamide
CID 72934121
4,5-Diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 59646973
4,5-Diamino-2-(2-morpholin-4-ylethyl)pyridazin-3-one;hydrochloride
CID 69310300
2-Chloro-5-(2-morpholin-4-ylethylamino)pyridazin-3-one
CID 71281001
2-Methyl-4-(3-methylmorpholin-4-yl)pyridazin-3-one
CID 140320804

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide (CID 95711982) is (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide is C[C@@H](C(N)=O)n1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is QMTZJZKAYPAVMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(11(12)17)15-10(16)6-9(7-13-15)14-2-4-18-5-3-14/h6-8H,2-5H2,1H3,(H2,12,17)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide?
(2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 252.27 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 95711982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).