2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one

C11H15ClF3N3O — CID 114437610

IUPAC2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCC(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-6-18-10(19)9(12)8(7-17-18)16-5-4-11(13,14)15/h7,16H,2-6H2,1H3
InChIKeyAMOZBLRTCOKARN-UHFFFAOYSA-N
MW297.71 g/mol
LogP3.06
Rot. Bonds6

About 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one

2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one (PubChem CID 114437610) has the molecular formula C11H15ClF3N3O and a molecular weight of 297.71 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
PubChem CID114437610
Molecular FormulaC11H15ClF3N3O
Molecular Weight297.71 g/mol
Exact Mass297.09
IUPAC Name2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCC(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C11H15ClF3N3O/c1-2-3-6-18-10(19)9(12)8(7-17-18)16-5-4-11(13,14)15/h7,16H,2-6H2,1H3
InChIKeyAMOZBLRTCOKARN-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.71
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)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

2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
2-butyl-4-chloro-5-[(2-methyl-2-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114442319
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one (CID 114437610) is 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one is CCCCn1ncc(NCCC(F)(F)F)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one?
The InChIKey is AMOZBLRTCOKARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O/c1-2-3-6-18-10(19)9(12)8(7-17-18)16-5-4-11(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one has a molecular weight of 297.71 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one is sourced from PubChem (CID 114437610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).