[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol

C10H14F3N3O — CID 55009379

IUPAC[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1ccc(CO)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)16(6-10(11,12)13)9-4-3-8(5-17)14-15-9/h3-4,7,17H,5-6H2,1-2H3
InChIKeyBTILYPGJKNTEQY-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.75
Rot. Bonds4

About [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol

[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol (PubChem CID 55009379) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
PubChem CID55009379
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
SMILESCC(C)N(CC(F)(F)F)c1ccc(CO)nn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)16(6-10(11,12)13)9-4-3-8(5-17)14-15-9/h3-4,7,17H,5-6H2,1-2H3
InChIKeyBTILYPGJKNTEQY-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol (CID 55009379) is [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol is CC(C)N(CC(F)(F)F)c1ccc(CO)nn1.
What is the InChIKey of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The InChIKey is BTILYPGJKNTEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)16(6-10(11,12)13)9-4-3-8(5-17)14-15-9/h3-4,7,17H,5-6H2,1-2H3.
What are the key properties of [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
[6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol has a molecular weight of 249.24 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 55009379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).