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

C15H17ClN2O2 — CID 838927

IUPAC2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one
SMILESCc1cccc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-10-6-5-7-11(8-10)20-12-9-17-18(15(2,3)4)14(19)13(12)16/h5-9H,1-4H3
InChIKeyFEPIAAWFQOHCQP-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.75
Rot. Bonds2

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

2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one (PubChem CID 838927) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one
PubChem CID838927
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one
SMILESCc1cccc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)c1
InChIInChI=1S/C15H17ClN2O2/c1-10-6-5-7-11(8-10)20-12-9-17-18(15(2,3)4)14(19)13(12)16/h5-9H,1-4H3
InChIKeyFEPIAAWFQOHCQP-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one?
The IUPAC name of 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one (CID 838927) is 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one is Cc1cccc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)c1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one?
The InChIKey is FEPIAAWFQOHCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-6-5-7-11(8-10)20-12-9-17-18(15(2,3)4)14(19)13(12)16/h5-9H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one?
2-tert-butyl-4-chloro-5-(3-methylphenoxy)pyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 3.75, 2 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-(3-methylphenoxy)pyridazin-3-one is sourced from PubChem (CID 838927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).