6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one

C14H20F3N3O2 — CID 126934864

IUPAC6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NCC(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3O2/c1-9-2-7-13(22)20(19-9)11-5-3-10(4-6-11)18-8-12(21)14(15,16)17/h2,7,10-12,18,21H,3-6,8H2,1H3
InChIKeyPTSHXKNFASRCAF-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.55
Rot. Bonds4

About 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one

6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126934864) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126934864
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NCC(O)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H20F3N3O2/c1-9-2-7-13(22)20(19-9)11-5-3-10(4-6-11)18-8-12(21)14(15,16)17/h2,7,10-12,18,21H,3-6,8H2,1H3
InChIKeyPTSHXKNFASRCAF-UHFFFAOYSA-N
XLogP1.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]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

1-butyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723041
6-oxo-1-propyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723263
1-(2-methoxyethyl)-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 103723317
N-(3,3-difluoro-2-hydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 103769855
1-butyl-N-(3,3-difluoro-2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 103769860
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103769978
N-(3,3-difluoro-2-hydroxypropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103770479
1-methyl-6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridazine-3-carboxamide
CID 113248480
2-(2-Hydroxycyclohexyl)-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 126857491
2-{4-[(3,3,3-Trifluoro-2-hydroxypropyl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126934515
6-Cyclopropyl-2-{4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl}-2,3-dihydropyridazin-3-one
CID 126935221
2-{4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl}-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126935558

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one (CID 126934864) is 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one is Cc1ccc(=O)n(C2CCC(NCC(O)C(F)(F)F)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is PTSHXKNFASRCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-9-2-7-13(22)20(19-9)11-5-3-10(4-6-11)18-8-12(21)14(15,16)17/h2,7,10-12,18,21H,3-6,8H2,1H3.
What are the key properties of 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 319.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).