6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one

C19H31N3O — CID 126923938

IUPAC6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCCN2C2CCCCC2)n1
InChIInChI=1S/C19H31N3O/c1-19(2,3)17-11-12-18(23)22(20-17)14-16-10-7-13-21(16)15-8-5-4-6-9-15/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyDMXNJSJEBCEJKK-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.34
Rot. Bonds3

About 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one

6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 126923938) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID126923938
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCCN2C2CCCCC2)n1
InChIInChI=1S/C19H31N3O/c1-19(2,3)17-11-12-18(23)22(20-17)14-16-10-7-13-21(16)15-8-5-4-6-9-15/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyDMXNJSJEBCEJKK-UHFFFAOYSA-N
XLogP3.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 176849388
N-Cyclohexyl-N-methyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-1,6-dihydropyridazin-1-YL]acetamide
CID 51695246
6-[3-(2,5-Dimethylpyrrolidin-1-yl)piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 48498247
6-Tert-butyl-2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 60225982
6-(2-Azaspiro[4.5]decane-2-carbonyl)-2-ethylpyridazin-3-one
CID 71999152
6-[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95585977
6-[(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 95585979
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-methylacetamide
CID 122278330
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-ethylacetamide
CID 122278495
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-methylpropanamide
CID 122278733
N-cyclohexyl-2-(3-cyclopropyl-6-oxopyridazin-1(6H)-yl)-N-ethylpropanamide
CID 122278903
6-[(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]-2-methylpyridazin-3-one
CID 124850521

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 126923938) is 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCCN2C2CCCCC2)n1.
What is the InChIKey of 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is DMXNJSJEBCEJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-19(2,3)17-11-12-18(23)22(20-17)14-16-10-7-13-21(16)15-8-5-4-6-9-15/h11-12,15-16H,4-10,13-14H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 317.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126923938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).