6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine

C13H15F3N6O — CID 154762799

IUPAC6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESNc1ccc(C2CCCN2Cc2nc(CC(F)(F)F)no2)nn1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)6-11-18-12(23-21-11)7-22-5-1-2-9(22)8-3-4-10(17)20-19-8/h3-4,9H,1-2,5-7H2,(H2,17,20)
InChIKeyRIIPWFWNZJGUQQ-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.88
Rot. Bonds4

About 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine

6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine (PubChem CID 154762799) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
PubChem CID154762799
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine
SMILESNc1ccc(C2CCCN2Cc2nc(CC(F)(F)F)no2)nn1
InChIInChI=1S/C13H15F3N6O/c14-13(15,16)6-11-18-12(23-21-11)7-22-5-1-2-9(22)8-3-4-10(17)20-19-8/h3-4,9H,1-2,5-7H2,(H2,17,20)
InChIKeyRIIPWFWNZJGUQQ-UHFFFAOYSA-N
XLogP1.88
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine with MolForge

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Related Compounds

5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127712347
6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 167797903
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 134038787
6-(1-ethylpiperidin-2-yl)pyridazin-3-amine
CID 117105891
6-[1-[(2-bromo-4-fluorophenyl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 167759809
3-butyl-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 134038786
5-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 86952046
5-[[2-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 167967944
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483124
5-[[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 95715988
[3-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752300
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The IUPAC name of 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine (CID 154762799) is 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine is Nc1ccc(C2CCCN2Cc2nc(CC(F)(F)F)no2)nn1.
What is the InChIKey of 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine?
The InChIKey is RIIPWFWNZJGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c14-13(15,16)6-11-18-12(23-21-11)7-22-5-1-2-9(22)8-3-4-10(17)20-19-8/h3-4,9H,1-2,5-7H2,(H2,17,20).
What are the key properties of 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine?
6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine has a molecular weight of 328.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]pyridazin-3-amine is sourced from PubChem (CID 154762799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).