6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C11H15ClF3N3 — CID 63271640

IUPAC6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(N(CC(F)(F)F)C(C)C)c1C
InChIInChI=1S/C11H15ClF3N3/c1-6(2)18(5-11(13,14)15)10-8(4)7(3)9(12)16-17-10/h6H,5H2,1-4H3
InChIKeyIXTCPKGWAGOSQV-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.52
Rot. Bonds3

About 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 63271640) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID63271640
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC Name6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCc1c(Cl)nnc(N(CC(F)(F)F)C(C)C)c1C
InChIInChI=1S/C11H15ClF3N3/c1-6(2)18(5-11(13,14)15)10-8(4)7(3)9(12)16-17-10/h6H,5H2,1-4H3
InChIKeyIXTCPKGWAGOSQV-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)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-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 63271640) is 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is Cc1c(Cl)nnc(N(CC(F)(F)F)C(C)C)c1C.
What is the InChIKey of 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is IXTCPKGWAGOSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-6(2)18(5-11(13,14)15)10-8(4)7(3)9(12)16-17-10/h6H,5H2,1-4H3.
What are the key properties of 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 281.71 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 63271640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).