2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one

C12H19N3O3 — CID 12550761

IUPAC2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one
SMILESCC(C)Oc1c(N2CCOCC2)cnn(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)18-11-10(8-13-14(3)12(11)16)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyXYGBBIIHLVKEGD-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.40
Rot. Bonds3

About 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one

2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one (PubChem CID 12550761) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one
PubChem CID12550761
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one
SMILESCC(C)Oc1c(N2CCOCC2)cnn(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-9(2)18-11-10(8-13-14(3)12(11)16)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3
InChIKeyXYGBBIIHLVKEGD-UHFFFAOYSA-N
XLogP0.40
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one?
The IUPAC name of 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one (CID 12550761) is 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one.
What is the SMILES notation for 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one?
The canonical SMILES for 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one is CC(C)Oc1c(N2CCOCC2)cnn(C)c1=O.
What is the InChIKey of 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one?
The InChIKey is XYGBBIIHLVKEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)18-11-10(8-13-14(3)12(11)16)15-4-6-17-7-5-15/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one?
2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-yl-4-propan-2-yloxypyridazin-3-one is sourced from PubChem (CID 12550761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).