2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one

C15H23N5O3 — CID 91782559

IUPAC2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C15H23N5O3/c1-17-14(21)10-13(11-16-17)19-2-4-20(5-3-19)15(22)12-18-6-8-23-9-7-18/h10-11H,2-9,12H2,1H3
InChIKeyLKWUZFQOZRTTMP-UHFFFAOYSA-N
MW321.38 g/mol
LogP-1.24
Rot. Bonds3

About 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 91782559) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one
PubChem CID91782559
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)CN3CCOCC3)CC2)cc1=O
InChIInChI=1S/C15H23N5O3/c1-17-14(21)10-13(11-16-17)19-2-4-20(5-3-19)15(22)12-18-6-8-23-9-7-18/h10-11H,2-9,12H2,1H3
InChIKeyLKWUZFQOZRTTMP-UHFFFAOYSA-N
XLogP-1.24
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one (CID 91782559) is 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(C(=O)CN3CCOCC3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is LKWUZFQOZRTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-17-14(21)10-13(11-16-17)19-2-4-20(5-3-19)15(22)12-18-6-8-23-9-7-18/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 321.38 g/mol, XLogP of -1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91782559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).