4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C16H21ClF3N5O3 — CID 172904748

IUPAC4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=C(CN1CCN(c2cnn(CC(F)(F)F)c(=O)c2Cl)CC1)N1CCOCC1
InChIInChI=1S/C16H21ClF3N5O3/c17-14-12(9-21-25(15(14)27)11-16(18,19)20)23-3-1-22(2-4-23)10-13(26)24-5-7-28-8-6-24/h9H,1-8,10-11H2
InChIKeyFCQLJFAAINWVOA-UHFFFAOYSA-N
MW423.82 g/mol
LogP0.44
Rot. Bonds4

About 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 172904748) has the molecular formula C16H21ClF3N5O3 and a molecular weight of 423.82 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID172904748
Molecular FormulaC16H21ClF3N5O3
Molecular Weight423.82 g/mol
Exact Mass423.13
IUPAC Name4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=C(CN1CCN(c2cnn(CC(F)(F)F)c(=O)c2Cl)CC1)N1CCOCC1
InChIInChI=1S/C16H21ClF3N5O3/c17-14-12(9-21-25(15(14)27)11-16(18,19)20)23-3-1-22(2-4-23)10-13(26)24-5-7-28-8-6-24/h9H,1-8,10-11H2
InChIKeyFCQLJFAAINWVOA-UHFFFAOYSA-N
XLogP0.44
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.82
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)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

Related Compounds

4-Chloro-2-(2,2-difluoroethyl)-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 171999903
2-(2,2-Difluoroethyl)-5-{4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 172880981
Ethyl 2-[5-chloro-4-(4-methylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 19245609
Ethyl 2-[5-chloro-4-(4-ethylpiperazin-1-yl)-6-oxopyridazin-1-yl]acetate
CID 19245610

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 172904748) is 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=C(CN1CCN(c2cnn(CC(F)(F)F)c(=O)c2Cl)CC1)N1CCOCC1.
What is the InChIKey of 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is FCQLJFAAINWVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N5O3/c17-14-12(9-21-25(15(14)27)11-16(18,19)20)23-3-1-22(2-4-23)10-13(26)24-5-7-28-8-6-24/h9H,1-8,10-11H2.
What are the key properties of 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 423.82 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 172904748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).