phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol

C16H17F3N4O — CID 58257836

IUPACphenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol
SMILESOC(c1ccccc1)c1cc(N2CCNCC2)nnc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)15-12(14(24)11-4-2-1-3-5-11)10-13(21-22-15)23-8-6-20-7-9-23/h1-5,10,14,20,24H,6-9H2
InChIKeySZQKXKFZDJNGAG-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.99
Rot. Bonds3

About phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol

phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol (PubChem CID 58257836) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol.

Molecular Properties

Compound Namephenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol
PubChem CID58257836
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Namephenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol
SMILESOC(c1ccccc1)c1cc(N2CCNCC2)nnc1C(F)(F)F
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)15-12(14(24)11-4-2-1-3-5-11)10-13(21-22-15)23-8-6-20-7-9-23/h1-5,10,14,20,24H,6-9H2
InChIKeySZQKXKFZDJNGAG-UHFFFAOYSA-N
XLogP1.99
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol?
The IUPAC name of phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol (CID 58257836) is phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol.
What is the SMILES notation for phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol?
The canonical SMILES for phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol is OC(c1ccccc1)c1cc(N2CCNCC2)nnc1C(F)(F)F.
What is the InChIKey of phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol?
The InChIKey is SZQKXKFZDJNGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)15-12(14(24)11-4-2-1-3-5-11)10-13(21-22-15)23-8-6-20-7-9-23/h1-5,10,14,20,24H,6-9H2.
What are the key properties of phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol?
phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol has a molecular weight of 338.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol is sourced from PubChem (CID 58257836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).