2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one

C12H19N3O3 — CID 13019001

IUPAC2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one
SMILESCCCOc1cnn(C)c(=O)c1N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-6-18-10-9-13-14(2)12(16)11(10)15-4-7-17-8-5-15/h9H,3-8H2,1-2H3
InChIKeyQFGAKTGGTDJCAE-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.41
Rot. Bonds4

About 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one

2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one (PubChem CID 13019001) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one
PubChem CID13019001
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one
SMILESCCCOc1cnn(C)c(=O)c1N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-6-18-10-9-13-14(2)12(16)11(10)15-4-7-17-8-5-15/h9H,3-8H2,1-2H3
InChIKeyQFGAKTGGTDJCAE-UHFFFAOYSA-N
XLogP0.41
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one?
The IUPAC name of 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one (CID 13019001) is 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one.
What is the SMILES notation for 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one?
The canonical SMILES for 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one is CCCOc1cnn(C)c(=O)c1N1CCOCC1.
What is the InChIKey of 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one?
The InChIKey is QFGAKTGGTDJCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-6-18-10-9-13-14(2)12(16)11(10)15-4-7-17-8-5-15/h9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one?
2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-yl-5-propoxypyridazin-3-one is sourced from PubChem (CID 13019001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).