2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol

C9H12F3N3O — CID 115875730

IUPAC2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol
SMILESCC(CO)N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c1-6(5-16)15(2)8-4-3-7(13-14-8)9(10,11)12/h3-4,6,16H,5H2,1-2H3
InChIKeySMEBXYZUIYMJNH-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.31
Rot. Bonds3

About 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol

2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol (PubChem CID 115875730) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol
PubChem CID115875730
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol
SMILESCC(CO)N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C9H12F3N3O/c1-6(5-16)15(2)8-4-3-7(13-14-8)9(10,11)12/h3-4,6,16H,5H2,1-2H3
InChIKeySMEBXYZUIYMJNH-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol?
The IUPAC name of 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol (CID 115875730) is 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol?
The canonical SMILES for 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol is CC(CO)N(C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol?
The InChIKey is SMEBXYZUIYMJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6(5-16)15(2)8-4-3-7(13-14-8)9(10,11)12/h3-4,6,16H,5H2,1-2H3.
What are the key properties of 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol?
2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol has a molecular weight of 235.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 115875730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).