4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one

C8H11N3O2 — CID 175973386

IUPAC4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one
SMILESCOC1CN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C8H11N3O2/c1-13-7-4-11(5-7)6-2-8(12)10-9-3-6/h2-3,7H,4-5H2,1H3,(H,10,12)
InChIKeyNAULBECZWHQNDK-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.40
Rot. Bonds2

About 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one

4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one (PubChem CID 175973386) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one
PubChem CID175973386
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one
SMILESCOC1CN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C8H11N3O2/c1-13-7-4-11(5-7)6-2-8(12)10-9-3-6/h2-3,7H,4-5H2,1H3,(H,10,12)
InChIKeyNAULBECZWHQNDK-UHFFFAOYSA-N
XLogP-0.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one (CID 175973386) is 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one is COC1CN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is NAULBECZWHQNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-13-7-4-11(5-7)6-2-8(12)10-9-3-6/h2-3,7H,4-5H2,1H3,(H,10,12).
What are the key properties of 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one?
4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 181.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyazetidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 175973386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).