6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine

C10H12ClF3N4 — CID 171545251

IUPAC6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl
InChIInChI=1S/C10H12ClF3N4/c11-9-7(10(12,13)14)4-8(17-18-9)16-6-2-1-3-15-5-6/h4,6,15H,1-3,5H2,(H,16,17)/t6-/m1/s1
InChIKeyVFNYZFIOSMHDNH-ZCFIWIBFSA-N
MW280.68 g/mol
LogP2.31
Rot. Bonds2

About 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine

6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine (PubChem CID 171545251) has the molecular formula C10H12ClF3N4 and a molecular weight of 280.68 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
PubChem CID171545251
Molecular FormulaC10H12ClF3N4
Molecular Weight280.68 g/mol
Exact Mass280.07
IUPAC Name6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl
InChIInChI=1S/C10H12ClF3N4/c11-9-7(10(12,13)14)4-8(17-18-9)16-6-2-1-3-15-5-6/h4,6,15H,1-3,5H2,(H,16,17)/t6-/m1/s1
InChIKeyVFNYZFIOSMHDNH-ZCFIWIBFSA-N
XLogP2.31
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine (CID 171545251) is 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1cc(N[C@@H]2CCCNC2)nnc1Cl.
What is the InChIKey of 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is VFNYZFIOSMHDNH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClF3N4/c11-9-7(10(12,13)14)4-8(17-18-9)16-6-2-1-3-15-5-6/h4,6,15H,1-3,5H2,(H,16,17)/t6-/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine?
6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 280.68 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 171545251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).