N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine

C10H10F3N5 — CID 163382956

IUPACN-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
SMILESCNCc1ccc(-c2cnn(C(F)(F)F)c2)nn1
InChIInChI=1S/C10H10F3N5/c1-14-5-8-2-3-9(17-16-8)7-4-15-18(6-7)10(11,12)13/h2-4,6,14H,5H2,1H3
InChIKeyYXIKJNFKSJBFMV-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.54
Rot. Bonds3

About N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine

N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine (PubChem CID 163382956) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
PubChem CID163382956
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine
SMILESCNCc1ccc(-c2cnn(C(F)(F)F)c2)nn1
InChIInChI=1S/C10H10F3N5/c1-14-5-8-2-3-9(17-16-8)7-4-15-18(6-7)10(11,12)13/h2-4,6,14H,5H2,1H3
InChIKeyYXIKJNFKSJBFMV-UHFFFAOYSA-N
XLogP1.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine 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-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine (CID 163382956) is N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine is CNCc1ccc(-c2cnn(C(F)(F)F)c2)nn1.
What is the InChIKey of N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
The InChIKey is YXIKJNFKSJBFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-14-5-8-2-3-9(17-16-8)7-4-15-18(6-7)10(11,12)13/h2-4,6,14H,5H2,1H3.
What are the key properties of N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine?
N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine has a molecular weight of 257.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[1-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methanamine is sourced from PubChem (CID 163382956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).