N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

C14H21F3N4 — CID 133433180

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1(C)CC(Nc2ccc(C(F)(F)F)nn2)CC(C)(C)N1
InChIInChI=1S/C14H21F3N4/c1-12(2)7-9(8-13(3,4)21-12)18-11-6-5-10(19-20-11)14(15,16)17/h5-6,9,21H,7-8H2,1-4H3,(H,18,20)
InChIKeyNQNCMTYCKXCGHV-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.22
Rot. Bonds2

About N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133433180) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133433180
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1(C)CC(Nc2ccc(C(F)(F)F)nn2)CC(C)(C)N1
InChIInChI=1S/C14H21F3N4/c1-12(2)7-9(8-13(3,4)21-12)18-11-6-5-10(19-20-11)14(15,16)17/h5-6,9,21H,7-8H2,1-4H3,(H,18,20)
InChIKeyNQNCMTYCKXCGHV-UHFFFAOYSA-N
XLogP3.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 133433180) is N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine is CC1(C)CC(Nc2ccc(C(F)(F)F)nn2)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is NQNCMTYCKXCGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-12(2)7-9(8-13(3,4)21-12)18-11-6-5-10(19-20-11)14(15,16)17/h5-6,9,21H,7-8H2,1-4H3,(H,18,20).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133433180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).