3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine

C11H14F3N3 — CID 122691986

IUPAC3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC1CN(c2ccc(C(F)(F)F)nn2)C[C@H]1C
InChIInChI=1S/C11H14F3N3/c1-7-5-17(6-8(7)2)10-4-3-9(15-16-10)11(12,13)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyYQPPWCXGNVEFGO-GVHYBUMESA-N
MW245.25 g/mol
LogP2.59
Rot. Bonds1

About 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 122691986) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID122691986
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESCC1CN(c2ccc(C(F)(F)F)nn2)C[C@H]1C
InChIInChI=1S/C11H14F3N3/c1-7-5-17(6-8(7)2)10-4-3-9(15-16-10)11(12,13)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8?/m1/s1
InChIKeyYQPPWCXGNVEFGO-GVHYBUMESA-N
XLogP2.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine 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 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 122691986) is 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine is CC1CN(c2ccc(C(F)(F)F)nn2)C[C@H]1C.
What is the InChIKey of 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is YQPPWCXGNVEFGO-GVHYBUMESA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7-5-17(6-8(7)2)10-4-3-9(15-16-10)11(12,13)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8?/m1/s1.
What are the key properties of 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 245.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3,4-dimethylpyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 122691986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).