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

C19H32N4O — CID 126923941

IUPAC6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCCN2CCN2CCCC2)n1
InChIInChI=1S/C19H32N4O/c1-19(2,3)17-8-9-18(24)23(20-17)15-16-7-6-12-22(16)14-13-21-10-4-5-11-21/h8-9,16H,4-7,10-15H2,1-3H3
InChIKeyMJOORJHTTZHBNO-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.10
Rot. Bonds5

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

6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923941) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923941
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCCN2CCN2CCCC2)n1
InChIInChI=1S/C19H32N4O/c1-19(2,3)17-8-9-18(24)23(20-17)15-16-7-6-12-22(16)14-13-21-10-4-5-11-21/h8-9,16H,4-7,10-15H2,1-3H3
InChIKeyMJOORJHTTZHBNO-UHFFFAOYSA-N
XLogP2.10
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924066
6-tert-butyl-2-[[1-[(1-hydroxycyclopentyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924175
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924089
6-tert-butyl-2-[[1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924010
6-tert-butyl-2-[[1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924053
6-tert-butyl-2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937906
6-tert-butyl-2-[[1-(1,3,4-oxadiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924065
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924070
6-tert-butyl-2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923955
6-tert-butyl-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924017
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923819

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923941) is 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCCN2CCN2CCCC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is MJOORJHTTZHBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,3)17-8-9-18(24)23(20-17)15-16-7-6-12-22(16)14-13-21-10-4-5-11-21/h8-9,16H,4-7,10-15H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 332.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).