5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol

C10H14F3N3O — CID 107269138

IUPAC5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(17)3-2-6-14-9-5-4-8(15-16-9)10(11,12)13/h4-5,7,17H,2-3,6H2,1H3,(H,14,16)
InChIKeyOJGOZXUHDQPBDU-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.07
Rot. Bonds5

About 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol

5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol (PubChem CID 107269138) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
PubChem CID107269138
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol
SMILESCC(O)CCCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(17)3-2-6-14-9-5-4-8(15-16-9)10(11,12)13/h4-5,7,17H,2-3,6H2,1H3,(H,14,16)
InChIKeyOJGOZXUHDQPBDU-UHFFFAOYSA-N
XLogP2.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.07
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-methylsulfanylbutyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 113344350
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
5-[(5-tert-butyl-2-pyridinyl)amino]pentan-2-ol
CID 106129039
N-pent-3-ynyl-6-(trifluoromethyl)pyridazin-3-amine
CID 115978081
2-[3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propyl]cyclohexan-1-ol
CID 133421323
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
CID 113344409
2-ethyl-2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]butan-1-ol
CID 103880439
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103525202
2,2-dimethyl-3-phenyl-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-1-ol
CID 133421830
N-[3-(cyclopropylmethoxy)propyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103847022
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol (CID 107269138) is 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol is CC(O)CCCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol?
The InChIKey is OJGOZXUHDQPBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(17)3-2-6-14-9-5-4-8(15-16-9)10(11,12)13/h4-5,7,17H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol?
5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol has a molecular weight of 249.24 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pentan-2-ol is sourced from PubChem (CID 107269138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).