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

C10H12F3N3O — CID 55009135

IUPAC[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
SMILESOCc1ccc(N(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-16(8-2-3-8)9-4-1-7(5-17)14-15-9/h1,4,8,17H,2-3,5-6H2
InChIKeyJNUAEFHRMQGUAX-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.50
Rot. Bonds4

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

[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol (PubChem CID 55009135) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
PubChem CID55009135
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol
SMILESOCc1ccc(N(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)6-16(8-2-3-8)9-4-1-7(5-17)14-15-9/h1,4,8,17H,2-3,5-6H2
InChIKeyJNUAEFHRMQGUAX-UHFFFAOYSA-N
XLogP1.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol (CID 55009135) is [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol is OCc1ccc(N(CC(F)(F)F)C2CC2)nn1.
What is the InChIKey of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
The InChIKey is JNUAEFHRMQGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)6-16(8-2-3-8)9-4-1-7(5-17)14-15-9/h1,4,8,17H,2-3,5-6H2.
What are the key properties of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol?
[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol has a molecular weight of 247.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 55009135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).