N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine

C15H12ClF6N5 — CID 133419854

IUPACN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1cnc(N2CCC(Nc3ccc(C(F)(F)F)nn3)C2)c(Cl)c1
InChIInChI=1S/C15H12ClF6N5/c16-10-5-8(14(17,18)19)6-23-13(10)27-4-3-9(7-27)24-12-2-1-11(25-26-12)15(20,21)22/h1-2,5-6,9H,3-4,7H2,(H,24,26)
InChIKeyGFQHPIMOZPIQPS-UHFFFAOYSA-N
MW411.74 g/mol
LogP4.25
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133419854) has the molecular formula C15H12ClF6N5 and a molecular weight of 411.74 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133419854
Molecular FormulaC15H12ClF6N5
Molecular Weight411.74 g/mol
Exact Mass411.07
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1cnc(N2CCC(Nc3ccc(C(F)(F)F)nn3)C2)c(Cl)c1
InChIInChI=1S/C15H12ClF6N5/c16-10-5-8(14(17,18)19)6-23-13(10)27-4-3-9(7-27)24-12-2-1-11(25-26-12)15(20,21)22/h1-2,5-6,9H,3-4,7H2,(H,24,26)
InChIKeyGFQHPIMOZPIQPS-UHFFFAOYSA-N
XLogP4.25
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.74
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133493533
[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
CID 136531929
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404
4-chloro-N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]benzenesulfonamide
CID 118855365
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897223
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163344238
6-[[(3S)-1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2-oxopyrrolidin-3-yl]amino]pyridazine-3-carbonitrile
CID 54670892

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133419854) is N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1cnc(N2CCC(Nc3ccc(C(F)(F)F)nn3)C2)c(Cl)c1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is GFQHPIMOZPIQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF6N5/c16-10-5-8(14(17,18)19)6-23-13(10)27-4-3-9(7-27)24-12-2-1-11(25-26-12)15(20,21)22/h1-2,5-6,9H,3-4,7H2,(H,24,26).
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 411.74 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133419854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).