2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol

C14H20F3N3O — CID 133421323

IUPAC2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
SMILESOC1CCCCC1CCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-7-8-13(20-19-12)18-9-3-5-10-4-1-2-6-11(10)21/h7-8,10-11,21H,1-6,9H2,(H,18,20)
InChIKeyNSZOJZUCAQLICC-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.24
Rot. Bonds5

About 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol

2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol (PubChem CID 133421323) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
PubChem CID133421323
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
SMILESOC1CCCCC1CCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-7-8-13(20-19-12)18-9-3-5-10-4-1-2-6-11(10)21/h7-8,10-11,21H,1-6,9H2,(H,18,20)
InChIKeyNSZOJZUCAQLICC-UHFFFAOYSA-N
XLogP3.24
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 106842692
N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103847022
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 104973215
2-[3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propyl]cyclohexan-1-ol
CID 133384817
4-[3-(2-hydroxycyclohexyl)propylamino]-3-(trifluoromethyl)benzonitrile
CID 133384916
2-[3-[(2-amino-6-chloropyrimidin-4-yl)amino]propyl]cyclohexan-1-ol
CID 133384998
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
2-[3-[(5-bromopyrimidin-2-yl)amino]propyl]cyclohexan-1-ol
CID 133384881
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
CID 133385061
3-fluoro-4-[3-(2-hydroxycyclohexyl)propylamino]benzonitrile
CID 133384912
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol?
The IUPAC name of 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol (CID 133421323) is 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol is OC1CCCCC1CCCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol?
The InChIKey is NSZOJZUCAQLICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)12-7-8-13(20-19-12)18-9-3-5-10-4-1-2-6-11(10)21/h7-8,10-11,21H,1-6,9H2,(H,18,20).
What are the key properties of 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol?
2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol has a molecular weight of 303.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol is sourced from PubChem (CID 133421323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).