6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one

C15H19N5O3 — CID 110105136

IUPAC6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCOC(c3ncc(C)[nH]3)C2)n1
InChIInChI=1S/C15H19N5O3/c1-10-3-4-13(21)20(18-10)9-14(22)19-5-6-23-12(8-19)15-16-7-11(2)17-15/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyYTRQBFULOGNROJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.18
Rot. Bonds3

About 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one

6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 110105136) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID110105136
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCOC(c3ncc(C)[nH]3)C2)n1
InChIInChI=1S/C15H19N5O3/c1-10-3-4-13(21)20(18-10)9-14(22)19-5-6-23-12(8-19)15-16-7-11(2)17-15/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyYTRQBFULOGNROJ-UHFFFAOYSA-N
XLogP0.18
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one (CID 110105136) is 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCOC(c3ncc(C)[nH]3)C2)n1.
What is the InChIKey of 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is YTRQBFULOGNROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-10-3-4-13(21)20(18-10)9-14(22)19-5-6-23-12(8-19)15-16-7-11(2)17-15/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one?
6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 317.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 110105136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).