4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol

C10H14F3N3O — CID 113337645

IUPAC4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(17)5-6-16(2)9-4-3-8(14-15-9)10(11,12)13/h3-4,7,17H,5-6H2,1-2H3
InChIKeyQWSSQYLRMAFRGV-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.70
Rot. Bonds4

About 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol

4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol (PubChem CID 113337645) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
PubChem CID113337645
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
SMILESCC(O)CCN(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(17)5-6-16(2)9-4-3-8(14-15-9)10(11,12)13/h3-4,7,17H,5-6H2,1-2H3
InChIKeyQWSSQYLRMAFRGV-UHFFFAOYSA-N
XLogP1.70
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol (CID 113337645) is 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol is CC(O)CCN(C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol?
The InChIKey is QWSSQYLRMAFRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(17)5-6-16(2)9-4-3-8(14-15-9)10(11,12)13/h3-4,7,17H,5-6H2,1-2H3.
What are the key properties of 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol?
4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol has a molecular weight of 249.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol is sourced from PubChem (CID 113337645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).