2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one

C19H19ClN2O2 — CID 22358070

IUPAC2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one
SMILESCC(C)(C)n1ncc(OCc2ccc3ccccc3c2)c(Cl)c1=O
InChIInChI=1S/C19H19ClN2O2/c1-19(2,3)22-18(23)17(20)16(11-21-22)24-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3
InChIKeyXJGDQVDELXLVOU-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.38
Rot. Bonds3

About 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one

2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one (PubChem CID 22358070) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one
PubChem CID22358070
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one
SMILESCC(C)(C)n1ncc(OCc2ccc3ccccc3c2)c(Cl)c1=O
InChIInChI=1S/C19H19ClN2O2/c1-19(2,3)22-18(23)17(20)16(11-21-22)24-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3
InChIKeyXJGDQVDELXLVOU-UHFFFAOYSA-N
XLogP4.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one (CID 22358070) is 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one is CC(C)(C)n1ncc(OCc2ccc3ccccc3c2)c(Cl)c1=O.
What is the InChIKey of 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one?
The InChIKey is XJGDQVDELXLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-19(2,3)22-18(23)17(20)16(11-21-22)24-12-13-8-9-14-6-4-5-7-15(14)10-13/h4-11H,12H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one?
2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one has a molecular weight of 342.83 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-(naphthalen-2-ylmethoxy)pyridazin-3-one is sourced from PubChem (CID 22358070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).