N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine

C11H15F3N4 — CID 62481416

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
SMILESFC(F)(F)CN1CCC(CNc2cccnn2)C1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-18-5-3-9(7-18)6-15-10-2-1-4-16-17-10/h1-2,4,9H,3,5-8H2,(H,15,17)
InChIKeyKYNIWFZMYMDPSP-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.77
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine (PubChem CID 62481416) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
PubChem CID62481416
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine
SMILESFC(F)(F)CN1CCC(CNc2cccnn2)C1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-18-5-3-9(7-18)6-15-10-2-1-4-16-17-10/h1-2,4,9H,3,5-8H2,(H,15,17)
InChIKeyKYNIWFZMYMDPSP-UHFFFAOYSA-N
XLogP1.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine (CID 62481416) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine is FC(F)(F)CN1CCC(CNc2cccnn2)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
The InChIKey is KYNIWFZMYMDPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)8-18-5-3-9(7-18)6-15-10-2-1-4-16-17-10/h1-2,4,9H,3,5-8H2,(H,15,17).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 62481416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).