6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one

C13H19N3O4 — CID 61409122

IUPAC6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCC2CO)ccc1=O
InChIInChI=1S/C13H19N3O4/c1-20-8-7-16-12(18)5-4-11(14-16)13(19)15-6-2-3-10(15)9-17/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyDGOYCMCJSULVCT-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.51
Rot. Bonds5

About 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one

6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 61409122) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID61409122
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1nc(C(=O)N2CCCC2CO)ccc1=O
InChIInChI=1S/C13H19N3O4/c1-20-8-7-16-12(18)5-4-11(14-16)13(19)15-6-2-3-10(15)9-17/h4-5,10,17H,2-3,6-9H2,1H3
InChIKeyDGOYCMCJSULVCT-UHFFFAOYSA-N
XLogP-0.51
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one (CID 61409122) is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1nc(C(=O)N2CCCC2CO)ccc1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is DGOYCMCJSULVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-20-8-7-16-12(18)5-4-11(14-16)13(19)15-6-2-3-10(15)9-17/h4-5,10,17H,2-3,6-9H2,1H3.
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one?
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 281.31 g/mol, XLogP of -0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 61409122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).