2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol

C19H28ClN3O5 — CID 73332098

IUPAC2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
SMILESCOCCOCCOc1ccc(COC2=C(Cl)C(O)N(C(C)(C)C)N=C2)cn1
InChIInChI=1S/C19H28ClN3O5/c1-19(2,3)23-18(24)17(20)15(12-22-23)28-13-14-5-6-16(21-11-14)27-10-9-26-8-7-25-4/h5-6,11-12,18,24H,7-10,13H2,1-4H3
InChIKeyYEDHCELFMFBSDV-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.51
Rot. Bonds10

About 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol

2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol (PubChem CID 73332098) has the molecular formula C19H28ClN3O5 and a molecular weight of 413.90 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
PubChem CID73332098
Molecular FormulaC19H28ClN3O5
Molecular Weight413.90 g/mol
Exact Mass413.17
IUPAC Name2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
SMILESCOCCOCCOc1ccc(COC2=C(Cl)C(O)N(C(C)(C)C)N=C2)cn1
InChIInChI=1S/C19H28ClN3O5/c1-19(2,3)23-18(24)17(20)15(12-22-23)28-13-14-5-6-16(21-11-14)27-10-9-26-8-7-25-4/h5-6,11-12,18,24H,7-10,13H2,1-4H3
InChIKeyYEDHCELFMFBSDV-UHFFFAOYSA-N
XLogP2.51
TPSA85.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-chloro-5-[[6-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol
CID 73332094
2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one
CID 73057859
2-tert-butyl-4-chloro-5-[[6-[2-(2-hydroxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one
CID 73057564
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-2-propan-2-yl-3H-pyridazin-3-ol
CID 146619261
ethane;5-ethyl-2-(2-methoxyethoxy)pyridine
CID 144506975
3-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2,2-dimethylpropanamide
CID 100782715
5-[2-(2-methoxyethoxy)ethoxymethyl]pyridin-2-amine
CID 104562052
2-bromo-5-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 87208339
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
N'-hydroxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboximidamide
CID 104562144

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol (CID 73332098) is 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol is COCCOCCOc1ccc(COC2=C(Cl)C(O)N(C(C)(C)C)N=C2)cn1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
The InChIKey is YEDHCELFMFBSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O5/c1-19(2,3)23-18(24)17(20)15(12-22-23)28-13-14-5-6-16(21-11-14)27-10-9-26-8-7-25-4/h5-6,11-12,18,24H,7-10,13H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol?
2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol has a molecular weight of 413.90 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]-3H-pyridazin-3-ol is sourced from PubChem (CID 73332098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).