4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C11H13ClF3N3O — CID 114431579

IUPAC4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NC2CCCC2)cnn1CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3O/c12-9-8(17-7-3-1-2-4-7)5-16-18(10(9)19)6-11(13,14)15/h5,7,17H,1-4,6H2
InChIKeyJEVGGXZHQQUTJI-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.81
Rot. Bonds3

About 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 114431579) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID114431579
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NC2CCCC2)cnn1CC(F)(F)F
InChIInChI=1S/C11H13ClF3N3O/c12-9-8(17-7-3-1-2-4-7)5-16-18(10(9)19)6-11(13,14)15/h5,7,17H,1-4,6H2
InChIKeyJEVGGXZHQQUTJI-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-(cyclopentylamino)-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 114431579) is 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1c(Cl)c(NC2CCCC2)cnn1CC(F)(F)F.
What is the InChIKey of 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is JEVGGXZHQQUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c12-9-8(17-7-3-1-2-4-7)5-16-18(10(9)19)6-11(13,14)15/h5,7,17H,1-4,6H2.
What are the key properties of 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 295.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclopentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 114431579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).