N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine

C13H18F3N3 — CID 133433754

IUPACN-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1CCCCC1N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H18F3N3/c1-9-5-3-4-6-10(9)19(2)12-8-7-11(17-18-12)13(14,15)16/h7-10H,3-6H2,1-2H3
InChIKeyZGZBTASHHGCKNU-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.51
Rot. Bonds2

About N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine

N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133433754) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133433754
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1CCCCC1N(C)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H18F3N3/c1-9-5-3-4-6-10(9)19(2)12-8-7-11(17-18-12)13(14,15)16/h7-10H,3-6H2,1-2H3
InChIKeyZGZBTASHHGCKNU-UHFFFAOYSA-N
XLogP3.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 133433754) is N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine is CC1CCCCC1N(C)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ZGZBTASHHGCKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-9-5-3-4-6-10(9)19(2)12-8-7-11(17-18-12)13(14,15)16/h7-10H,3-6H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 273.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133433754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).