5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one

C11H15ClN4O3 — CID 112683993

IUPAC5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
SMILESO=C(CCNc1cn[nH]c(=O)c1Cl)N1CCOCC1
InChIInChI=1S/C11H15ClN4O3/c12-10-8(7-14-15-11(10)18)13-2-1-9(17)16-3-5-19-6-4-16/h7H,1-6H2,(H2,13,15,18)
InChIKeyXKYNXRLSMCUOPT-UHFFFAOYSA-N
MW286.72 g/mol
LogP0.08
Rot. Bonds4

About 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one

5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one (PubChem CID 112683993) has the molecular formula C11H15ClN4O3 and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
PubChem CID112683993
Molecular FormulaC11H15ClN4O3
Molecular Weight286.72 g/mol
Exact Mass286.08
IUPAC Name5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one
SMILESO=C(CCNc1cn[nH]c(=O)c1Cl)N1CCOCC1
InChIInChI=1S/C11H15ClN4O3/c12-10-8(7-14-15-11(10)18)13-2-1-9(17)16-3-5-19-6-4-16/h7H,1-6H2,(H2,13,15,18)
InChIKeyXKYNXRLSMCUOPT-UHFFFAOYSA-N
XLogP0.08
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
3-[(5-chloropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105369598
5-chloro-4-[[(3R)-oxan-3-yl]methylamino]-1H-pyridazin-6-one
CID 168962962
5-chloro-4-(4-hydroxybutylamino)-1H-pyridazin-6-one
CID 106842784
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane
CID 168964036
5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
CID 94818392
5-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 115621420
5-chloro-4-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-1H-pyridazin-6-one
CID 94179576
5-chloro-4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 79033828
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
6-amino-1-methyl-5-[(3-morpholin-4-yl-3-oxopropyl)amino]pyrimidine-2,4-dione
CID 115579965

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one (CID 112683993) is 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one is O=C(CCNc1cn[nH]c(=O)c1Cl)N1CCOCC1.
What is the InChIKey of 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one?
The InChIKey is XKYNXRLSMCUOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O3/c12-10-8(7-14-15-11(10)18)13-2-1-9(17)16-3-5-19-6-4-16/h7H,1-6H2,(H2,13,15,18).
What are the key properties of 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one has a molecular weight of 286.72 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 112683993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).