3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile

C10H9F3N4O — CID 112737637

IUPAC3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)9(18)2-4-17(6-9)8-7(5-14)1-3-15-16-8/h1,3,18H,2,4,6H2
InChIKeyZYCTXLBBKXTYDZ-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.85
Rot. Bonds1

About 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile

3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 112737637) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile
PubChem CID112737637
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)9(18)2-4-17(6-9)8-7(5-14)1-3-15-16-8/h1,3,18H,2,4,6H2
InChIKeyZYCTXLBBKXTYDZ-UHFFFAOYSA-N
XLogP0.85
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile (CID 112737637) is 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile is N#Cc1ccnnc1N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is ZYCTXLBBKXTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c11-10(12,13)9(18)2-4-17(6-9)8-7(5-14)1-3-15-16-8/h1,3,18H,2,4,6H2.
What are the key properties of 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile?
3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 258.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 112737637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).