2-(morpholin-2-ylmethyl)pyridazin-3-one

C9H13N3O2 — CID 64533452

IUPAC2-(morpholin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CNCCO1
InChIInChI=1S/C9H13N3O2/c13-9-2-1-3-11-12(9)7-8-6-10-4-5-14-8/h1-3,8,10H,4-7H2
InChIKeyWHXSSKUXBYGCMO-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.77
Rot. Bonds2

About 2-(morpholin-2-ylmethyl)pyridazin-3-one

2-(morpholin-2-ylmethyl)pyridazin-3-one (PubChem CID 64533452) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(morpholin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(morpholin-2-ylmethyl)pyridazin-3-one
PubChem CID64533452
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(morpholin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cccnn1CC1CNCCO1
InChIInChI=1S/C9H13N3O2/c13-9-2-1-3-11-12(9)7-8-6-10-4-5-14-8/h1-3,8,10H,4-7H2
InChIKeyWHXSSKUXBYGCMO-UHFFFAOYSA-N
XLogP-0.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-(morpholin-2-ylmethyl)pyridazin-3-one (CID 64533452) is 2-(morpholin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-(morpholin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-(morpholin-2-ylmethyl)pyridazin-3-one is O=c1cccnn1CC1CNCCO1.
What is the InChIKey of 2-(morpholin-2-ylmethyl)pyridazin-3-one?
The InChIKey is WHXSSKUXBYGCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9-2-1-3-11-12(9)7-8-6-10-4-5-14-8/h1-3,8,10H,4-7H2.
What are the key properties of 2-(morpholin-2-ylmethyl)pyridazin-3-one?
2-(morpholin-2-ylmethyl)pyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 64533452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).