2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one

C15H23N3O — CID 126927179

IUPAC2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(CC3CCCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12-6-7-15(19)18(16-12)11-14-9-17(10-14)8-13-4-2-3-5-13/h6-7,13-14H,2-5,8-11H2,1H3
InChIKeyRJTOGXRIDYZMJT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds4

About 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126927179) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126927179
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(CC3CCCC3)C2)n1
InChIInChI=1S/C15H23N3O/c1-12-6-7-15(19)18(16-12)11-14-9-17(10-14)8-13-4-2-3-5-13/h6-7,13-14H,2-5,8-11H2,1H3
InChIKeyRJTOGXRIDYZMJT-UHFFFAOYSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930049
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
2-[[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927059
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863941
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
6-methyl-2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927103
6-methyl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927097
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
6-methyl-2-[[1-(2-methyl-4-pyridinyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926995
6-methyl-2-[[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126864051
6-methyl-2-[[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864063

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one (CID 126927179) is 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CN(CC3CCCC3)C2)n1.
What is the InChIKey of 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is RJTOGXRIDYZMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-7-15(19)18(16-12)11-14-9-17(10-14)8-13-4-2-3-5-13/h6-7,13-14H,2-5,8-11H2,1H3.
What are the key properties of 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 261.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126927179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).