6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C19H29N5O — CID 126924089

IUPAC6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCn1cncc1CCN1CCCC1Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C19H29N5O/c1-19(2,3)17-7-8-18(25)24(21-17)13-16-6-5-10-23(16)11-9-15-12-20-14-22(15)4/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3
InChIKeyXDOZNYJXBLGOKA-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.98
Rot. Bonds5

About 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126924089) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126924089
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCn1cncc1CCN1CCCC1Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C19H29N5O/c1-19(2,3)17-7-8-18(25)24(21-17)13-16-6-5-10-23(16)11-9-15-12-20-14-22(15)4/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3
InChIKeyXDOZNYJXBLGOKA-UHFFFAOYSA-N
XLogP1.98
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923278
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923941
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-[[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-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923955
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-(cyclobutanecarbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923819
6-tert-butyl-2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924061
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-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924150

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126924089) is 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is Cn1cncc1CCN1CCCC1Cn1nc(C(C)(C)C)ccc1=O.
What is the InChIKey of 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is XDOZNYJXBLGOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-19(2,3)17-7-8-18(25)24(21-17)13-16-6-5-10-23(16)11-9-15-12-20-14-22(15)4/h7-8,12,14,16H,5-6,9-11,13H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 343.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[2-(3-methylimidazol-4-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126924089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).