2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one

C9H13N3O2 — CID 130530939

IUPAC2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC2CNC2)n1
InChIInChI=1S/C9H13N3O2/c1-14-8-2-3-9(13)12(11-8)6-7-4-10-5-7/h2-3,7,10H,4-6H2,1H3
InChIKeyDCTRLGPZWZUZDH-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.53
Rot. Bonds3

About 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one

2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one (PubChem CID 130530939) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
PubChem CID130530939
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC2CNC2)n1
InChIInChI=1S/C9H13N3O2/c1-14-8-2-3-9(13)12(11-8)6-7-4-10-5-7/h2-3,7,10H,4-6H2,1H3
InChIKeyDCTRLGPZWZUZDH-UHFFFAOYSA-N
XLogP-0.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-2-(2-piperidin-3-ylethyl)pyridazin-3-one
CID 105061827
2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
CID 171991200
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828
2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062157
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]thiophene-2-carboxylic acid
CID 105061587
2-[2-(2-ethoxyethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062166
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one (CID 130530939) is 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one?
The InChIKey is DCTRLGPZWZUZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-8-2-3-9(13)12(11-8)6-7-4-10-5-7/h2-3,7,10H,4-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one?
2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one has a molecular weight of 195.22 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 130530939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).