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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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).