(3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol

C9H11ClF3N3O — CID 155312433

IUPAC(3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol
SMILESOCC[C@H](CC(F)(F)F)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H11ClF3N3O/c10-7-1-2-8(16-15-7)14-6(3-4-17)5-9(11,12)13/h1-2,6,17H,3-5H2,(H,14,16)/t6-/m1/s1
InChIKeyWNIMRXOUPZBXHU-ZCFIWIBFSA-N
MW269.65 g/mol
LogP2.25
Rot. Bonds5

About (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol

(3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol (PubChem CID 155312433) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol
PubChem CID155312433
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name(3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol
SMILESOCC[C@H](CC(F)(F)F)Nc1ccc(Cl)nn1
InChIInChI=1S/C9H11ClF3N3O/c10-7-1-2-8(16-15-7)14-6(3-4-17)5-9(11,12)13/h1-2,6,17H,3-5H2,(H,14,16)/t6-/m1/s1
InChIKeyWNIMRXOUPZBXHU-ZCFIWIBFSA-N
XLogP2.25
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol?
The IUPAC name of (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol (CID 155312433) is (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol is OCC[C@H](CC(F)(F)F)Nc1ccc(Cl)nn1.
What is the InChIKey of (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol?
The InChIKey is WNIMRXOUPZBXHU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c10-7-1-2-8(16-15-7)14-6(3-4-17)5-9(11,12)13/h1-2,6,17H,3-5H2,(H,14,16)/t6-/m1/s1.
What are the key properties of (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol?
(3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol has a molecular weight of 269.65 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(6-chloropyridazin-3-yl)amino]-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 155312433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).