4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine

C15H16ClN3O2 — CID 46226109

IUPAC4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine
SMILESCOc1ccc(-c2ccc(N3CCOCC3)nn2)c(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-20-11-2-3-12(13(16)10-11)14-4-5-15(18-17-14)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyWHRUOZWUQLHKAN-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.64
Rot. Bonds3

About 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine

4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine (PubChem CID 46226109) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine
PubChem CID46226109
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine
SMILESCOc1ccc(-c2ccc(N3CCOCC3)nn2)c(Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-20-11-2-3-12(13(16)10-11)14-4-5-15(18-17-14)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3
InChIKeyWHRUOZWUQLHKAN-UHFFFAOYSA-N
XLogP2.64
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine (CID 46226109) is 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine is COc1ccc(-c2ccc(N3CCOCC3)nn2)c(Cl)c1.
What is the InChIKey of 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine?
The InChIKey is WHRUOZWUQLHKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-20-11-2-3-12(13(16)10-11)14-4-5-15(18-17-14)19-6-8-21-9-7-19/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine?
4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine has a molecular weight of 305.77 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-chloro-4-methoxyphenyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).