4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol

C9H12F3N3O — CID 106842692

IUPAC4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
SMILESOCCCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-3-4-8(15-14-7)13-5-1-2-6-16/h3-4,16H,1-2,5-6H2,(H,13,15)
InChIKeyOBNLCTVFZQDPAD-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.68
Rot. Bonds5

About 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol

4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol (PubChem CID 106842692) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
PubChem CID106842692
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
SMILESOCCCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)7-3-4-8(15-14-7)13-5-1-2-6-16/h3-4,16H,1-2,5-6H2,(H,13,15)
InChIKeyOBNLCTVFZQDPAD-UHFFFAOYSA-N
XLogP1.68
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.68
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

5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
CID 107269138
2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
CID 133421323
N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103847022
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
N-(3-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]pentan-1-ol
CID 107302564
4-chloro-N-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzamide
CID 133433473
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103880354

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol?
The IUPAC name of 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol (CID 106842692) is 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol is OCCCCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol?
The InChIKey is OBNLCTVFZQDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)7-3-4-8(15-14-7)13-5-1-2-6-16/h3-4,16H,1-2,5-6H2,(H,13,15).
What are the key properties of 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol?
4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol has a molecular weight of 235.21 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol is sourced from PubChem (CID 106842692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).