4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one

C14H15ClN2O2 — CID 13246168

IUPAC4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one
SMILESCCn1ncc(OCc2cccc(C)c2)c(Cl)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-3-17-14(18)13(15)12(8-16-17)19-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3
InChIKeyZNCHGCSPLQZMJH-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.80
Rot. Bonds4

About 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one

4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one (PubChem CID 13246168) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one
PubChem CID13246168
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one
SMILESCCn1ncc(OCc2cccc(C)c2)c(Cl)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-3-17-14(18)13(15)12(8-16-17)19-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3
InChIKeyZNCHGCSPLQZMJH-UHFFFAOYSA-N
XLogP2.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one (CID 13246168) is 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one is CCn1ncc(OCc2cccc(C)c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one?
The InChIKey is ZNCHGCSPLQZMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-17-14(18)13(15)12(8-16-17)19-9-11-6-4-5-10(2)7-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one?
4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one has a molecular weight of 278.74 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[(3-methylphenyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 13246168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).