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

C12H17F3N4 — CID 71908084

IUPACN-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(N(C)c2ccc(C(F)(F)F)nn2)C1
InChIInChI=1S/C12H17F3N4/c1-18-7-3-4-9(8-18)19(2)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyDNTFKVWQTWLTFR-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.03
Rot. Bonds2

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

N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 71908084) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID71908084
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC NameN-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCN1CCCC(N(C)c2ccc(C(F)(F)F)nn2)C1
InChIInChI=1S/C12H17F3N4/c1-18-7-3-4-9(8-18)19(2)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyDNTFKVWQTWLTFR-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)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 N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 71908084) is N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is CN1CCCC(N(C)c2ccc(C(F)(F)F)nn2)C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is DNTFKVWQTWLTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4/c1-18-7-3-4-9(8-18)19(2)11-6-5-10(16-17-11)12(13,14)15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 71908084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).