6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine

C11H14ClF3N4 — CID 155284794

IUPAC6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(Nc2nnc(Cl)cc2C(F)(F)F)C1
InChIInChI=1S/C11H14ClF3N4/c1-19-4-2-3-7(6-19)16-10-8(11(13,14)15)5-9(12)17-18-10/h5,7H,2-4,6H2,1H3,(H,16,18)
InChIKeyFGCNXQFHPOCMIU-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.65
Rot. Bonds2

About 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine

6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine (PubChem CID 155284794) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine
PubChem CID155284794
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(Nc2nnc(Cl)cc2C(F)(F)F)C1
InChIInChI=1S/C11H14ClF3N4/c1-19-4-2-3-7(6-19)16-10-8(11(13,14)15)5-9(12)17-18-10/h5,7H,2-4,6H2,1H3,(H,16,18)
InChIKeyFGCNXQFHPOCMIU-UHFFFAOYSA-N
XLogP2.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine (CID 155284794) is 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine is CN1CCCC(Nc2nnc(Cl)cc2C(F)(F)F)C1.
What is the InChIKey of 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is FGCNXQFHPOCMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c1-19-4-2-3-7(6-19)16-10-8(11(13,14)15)5-9(12)17-18-10/h5,7H,2-4,6H2,1H3,(H,16,18).
What are the key properties of 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine?
6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 294.71 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 155284794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).