4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one

C14H15Cl2N3O2 — CID 114435208

IUPAC4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccc(Cl)cc2)cnn1CCO
InChIInChI=1S/C14H15Cl2N3O2/c15-11-3-1-10(2-4-11)5-6-17-12-9-18-19(7-8-20)14(21)13(12)16/h1-4,9,17,20H,5-8H2
InChIKeyNFVJFTLHVQWMHY-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.20
Rot. Bonds6

About 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one

4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114435208) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114435208
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCCc2ccc(Cl)cc2)cnn1CCO
InChIInChI=1S/C14H15Cl2N3O2/c15-11-3-1-10(2-4-11)5-6-17-12-9-18-19(7-8-20)14(21)13(12)16/h1-4,9,17,20H,5-8H2
InChIKeyNFVJFTLHVQWMHY-UHFFFAOYSA-N
XLogP2.20
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
CID 114433930
4-chloro-2-(2-hydroxyethyl)-5-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridazin-3-one
CID 114438849
4-chloro-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 106105450
4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114437671
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-hydroxyphenyl)ethylamino]pyridazin-3-one
CID 114434954
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439436
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one (CID 114435208) is 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Cl)c(NCCc2ccc(Cl)cc2)cnn1CCO.
What is the InChIKey of 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is NFVJFTLHVQWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-11-3-1-10(2-4-11)5-6-17-12-9-18-19(7-8-20)14(21)13(12)16/h1-4,9,17,20H,5-8H2.
What are the key properties of 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 328.20 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114435208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).