2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

C20H29N5O — CID 126930049

IUPAC2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(CC4CCCCC4)C3)n2)n1
InChIInChI=1S/C20H29N5O/c1-15-10-16(2)25(21-15)19-8-9-20(26)24(22-19)14-18-12-23(13-18)11-17-6-4-3-5-7-17/h8-10,17-18H,3-7,11-14H2,1-2H3
InChIKeyFXKTWAXIOOLCKB-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.56
Rot. Bonds5

About 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one

2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (PubChem CID 126930049) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
PubChem CID126930049
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(CC4CCCCC4)C3)n2)n1
InChIInChI=1S/C20H29N5O/c1-15-10-16(2)25(21-15)19-8-9-20(26)24(22-19)14-18-12-23(13-18)11-17-6-4-3-5-7-17/h8-10,17-18H,3-7,11-14H2,1-2H3
InChIKeyFXKTWAXIOOLCKB-UHFFFAOYSA-N
XLogP2.56
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one with MolForge

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Related Compounds

2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930182
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930056
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930054
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930053
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018
2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930075
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930177
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930111
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930282
2-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930068

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The IUPAC name of 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one (CID 126930049) is 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(CC4CCCCC4)C3)n2)n1.
What is the InChIKey of 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
The InChIKey is FXKTWAXIOOLCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-10-16(2)25(21-15)19-8-9-20(26)24(22-19)14-18-12-23(13-18)11-17-6-4-3-5-7-17/h8-10,17-18H,3-7,11-14H2,1-2H3.
What are the key properties of 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one?
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one has a molecular weight of 355.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one is sourced from PubChem (CID 126930049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).