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

C7H8F3N3 — CID 163382809

IUPACN-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine
SMILESCNCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3/c1-11-4-5-2-3-6(13-12-5)7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyICHJGDFADVFJKO-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.21
Rot. Bonds2

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

N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine (PubChem CID 163382809) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine
PubChem CID163382809
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC NameN-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine
SMILESCNCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3/c1-11-4-5-2-3-6(13-12-5)7(8,9)10/h2-3,11H,4H2,1H3
InChIKeyICHJGDFADVFJKO-UHFFFAOYSA-N
XLogP1.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine (CID 163382809) is N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine is CNCc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine?
The InChIKey is ICHJGDFADVFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-11-4-5-2-3-6(13-12-5)7(8,9)10/h2-3,11H,4H2,1H3.
What are the key properties of N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine?
N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine has a molecular weight of 191.16 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(trifluoromethyl)pyridazin-3-yl]methanamine is sourced from PubChem (CID 163382809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).