6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine

C11H14ClF3N4 — CID 155284637

IUPAC6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine
SMILESFC(F)(F)CN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C11H14ClF3N4/c12-9-3-4-10(18-17-9)16-8-2-1-5-19(6-8)7-11(13,14)15/h3-4,8H,1-2,5-7H2,(H,16,18)
InChIKeyNQQSYYKOOINFCQ-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.57
Rot. Bonds3

About 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine

6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine (PubChem CID 155284637) has the molecular formula C11H14ClF3N4 and a molecular weight of 294.71 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine
PubChem CID155284637
Molecular FormulaC11H14ClF3N4
Molecular Weight294.71 g/mol
Exact Mass294.09
IUPAC Name6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine
SMILESFC(F)(F)CN1CCCC(Nc2ccc(Cl)nn2)C1
InChIInChI=1S/C11H14ClF3N4/c12-9-3-4-10(18-17-9)16-8-2-1-5-19(6-8)7-11(13,14)15/h3-4,8H,1-2,5-7H2,(H,16,18)
InChIKeyNQQSYYKOOINFCQ-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine (CID 155284637) is 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine is FC(F)(F)CN1CCCC(Nc2ccc(Cl)nn2)C1.
What is the InChIKey of 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine?
The InChIKey is NQQSYYKOOINFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4/c12-9-3-4-10(18-17-9)16-8-2-1-5-19(6-8)7-11(13,14)15/h3-4,8H,1-2,5-7H2,(H,16,18).
What are the key properties of 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine?
6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine has a molecular weight of 294.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 155284637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).