6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one

C18H24ClN3O2 — CID 56824073

IUPAC6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one
SMILESCN(CCOc1ccc(Cl)cc1)Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C18H24ClN3O2/c1-18(2,3)16-9-10-17(23)22(20-16)13-21(4)11-12-24-15-7-5-14(19)6-8-15/h5-10H,11-13H2,1-4H3
InChIKeyHGFAJNZJIHMWFW-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.16
Rot. Bonds6

About 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one

6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one (PubChem CID 56824073) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one
PubChem CID56824073
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one
SMILESCN(CCOc1ccc(Cl)cc1)Cn1nc(C(C)(C)C)ccc1=O
InChIInChI=1S/C18H24ClN3O2/c1-18(2,3)16-9-10-17(23)22(20-16)13-21(4)11-12-24-15-7-5-14(19)6-8-15/h5-10H,11-13H2,1-4H3
InChIKeyHGFAJNZJIHMWFW-UHFFFAOYSA-N
XLogP3.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
4-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 26057393
3-[2-(4-chlorophenoxy)ethyl-methylamino]propanamide
CID 39750578
4-amino-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]isoindole-1,3-dione
CID 43042760
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylethanamine
CID 78790279
2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazole-3-thione
CID 18093184
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
5-(3-bromophenyl)-3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-5-methylimidazolidine-2,4-dione
CID 42998311
4-[2-(4-chlorophenoxy)ethyl-methylamino]-3-methylsulfonylbenzenesulfonamide
CID 56578391
5-(tert-butylamino)-3-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]-1,3,4-thiadiazole-2-thione
CID 18125954

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one (CID 56824073) is 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one is CN(CCOc1ccc(Cl)cc1)Cn1nc(C(C)(C)C)ccc1=O.
What is the InChIKey of 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one?
The InChIKey is HGFAJNZJIHMWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-18(2,3)16-9-10-17(23)22(20-16)13-21(4)11-12-24-15-7-5-14(19)6-8-15/h5-10H,11-13H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one?
6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one has a molecular weight of 349.86 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]pyridazin-3-one is sourced from PubChem (CID 56824073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).