4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one

C16H20ClN3O — CID 114434311

IUPAC4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
SMILESCCc1ccc(C(C)Nc2cnn(CC)c(=O)c2Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-4-12-6-8-13(9-7-12)11(3)19-14-10-18-20(5-2)16(21)15(14)17/h6-11,19H,4-5H2,1-3H3
InChIKeyOTIOJQYSYRPWDZ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one

4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one (PubChem CID 114434311) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
PubChem CID114434311
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
SMILESCCc1ccc(C(C)Nc2cnn(CC)c(=O)c2Cl)cc1
InChIInChI=1S/C16H20ClN3O/c1-4-12-6-8-13(9-7-12)11(3)19-14-10-18-20(5-2)16(21)15(14)17/h6-11,19H,4-5H2,1-3H3
InChIKeyOTIOJQYSYRPWDZ-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434721
4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969
4-chloro-5-(1-phenylethylamino)-2-prop-2-enylpyridazin-3-one
CID 114431890
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-chloro-2-prop-2-enyl-5-(1-pyridin-4-ylethylamino)pyridazin-3-one
CID 114433289
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-methylpyridazin-3-one
CID 115577699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one (CID 114434311) is 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one is CCc1ccc(C(C)Nc2cnn(CC)c(=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one?
The InChIKey is OTIOJQYSYRPWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-12-6-8-13(9-7-12)11(3)19-14-10-18-20(5-2)16(21)15(14)17/h6-11,19H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one?
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114434311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).