N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine

C11H15F3N4 — CID 176897238

IUPACN-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(Nc2cc(C(F)(F)F)cnn2)C1
InChIInChI=1S/C11H15F3N4/c1-18-4-2-3-9(7-18)16-10-5-8(6-15-17-10)11(12,13)14/h5-6,9H,2-4,7H2,1H3,(H,16,17)
InChIKeyYHUFZCWITVPFMR-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.00
Rot. Bonds2

About N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine

N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine (PubChem CID 176897238) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine
PubChem CID176897238
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(Nc2cc(C(F)(F)F)cnn2)C1
InChIInChI=1S/C11H15F3N4/c1-18-4-2-3-9(7-18)16-10-5-8(6-15-17-10)11(12,13)14/h5-6,9H,2-4,7H2,1H3,(H,16,17)
InChIKeyYHUFZCWITVPFMR-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine (CID 176897238) is N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine is CN1CCCC(Nc2cc(C(F)(F)F)cnn2)C1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is YHUFZCWITVPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-18-4-2-3-9(7-18)16-10-5-8(6-15-17-10)11(12,13)14/h5-6,9H,2-4,7H2,1H3,(H,16,17).
What are the key properties of N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine?
N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-5-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 176897238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).