4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one

C11H15ClF3N3O2 — CID 104854507

IUPAC4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
SMILESCOCCn1ncc(NC(C)CC(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C11H15ClF3N3O2/c1-7(5-11(13,14)15)17-8-6-16-18(3-4-20-2)10(19)9(8)12/h6-7,17H,3-5H2,1-2H3
InChIKeyMQHZWBLRYLVYEJ-UHFFFAOYSA-N
MW313.71 g/mol
LogP2.30
Rot. Bonds6

About 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one

4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one (PubChem CID 104854507) has the molecular formula C11H15ClF3N3O2 and a molecular weight of 313.71 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
PubChem CID104854507
Molecular FormulaC11H15ClF3N3O2
Molecular Weight313.71 g/mol
Exact Mass313.08
IUPAC Name4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
SMILESCOCCn1ncc(NC(C)CC(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C11H15ClF3N3O2/c1-7(5-11(13,14)15)17-8-6-16-18(3-4-20-2)10(19)9(8)12/h6-7,17H,3-5H2,1-2H3
InChIKeyMQHZWBLRYLVYEJ-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)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-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 36250548
4-Chloro-5-(2-methoxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 102698960
4-Chloro-2-(2-methoxyethyl)-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 102809284
5-chloro-4-[2-(2,2-difluoroethoxy)ethylamino]-1H-pyridazin-6-one
CID 103081442
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-methylpyridazin-3-one
CID 103081449
4-Chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-Chloro-5-(morpholin-3-ylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 103549349
4-Chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methylpyridazin-3-one
CID 103731264
4-Chloro-2-methyl-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one
CID 104854560
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-methylpyridazin-3-one
CID 104858428
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 104858548
4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 104922039

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one (CID 104854507) is 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one is COCCn1ncc(NC(C)CC(F)(F)F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one?
The InChIKey is MQHZWBLRYLVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2/c1-7(5-11(13,14)15)17-8-6-16-18(3-4-20-2)10(19)9(8)12/h6-7,17H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one?
4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one has a molecular weight of 313.71 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethyl)-5-(4,4,4-trifluorobutan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 104854507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).