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

C19H26ClN3O5 — CID 73057859

IUPAC2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one
SMILESCOCCOCCOc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cn1
InChIInChI=1S/C19H26ClN3O5/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/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyGYELFUKCYKANKO-UHFFFAOYSA-N
MW411.89 g/mol
LogP2.67
Rot. Bonds10

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

2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one (PubChem CID 73057859) has the molecular formula C19H26ClN3O5 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one
PubChem CID73057859
Molecular FormulaC19H26ClN3O5
Molecular Weight411.89 g/mol
Exact Mass411.16
IUPAC Name2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one
SMILESCOCCOCCOc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cn1
InChIInChI=1S/C19H26ClN3O5/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/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyGYELFUKCYKANKO-UHFFFAOYSA-N
XLogP2.67
TPSA84.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one (CID 73057859) is 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one is COCCOCCOc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cn1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one?
The InChIKey is GYELFUKCYKANKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5/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/h5-6,11-12H,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]pyridazin-3-one?
2-tert-butyl-4-chloro-5-[[6-[2-(2-methoxyethoxy)ethoxy]-3-pyridinyl]methoxy]pyridazin-3-one has a molecular weight of 411.89 g/mol, XLogP of 2.67, 10 rotatable bonds, 0 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]pyridazin-3-one is sourced from PubChem (CID 73057859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).