N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine

C16H18F3N3O — CID 133432263

IUPACN-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccc(C(Nc2ccc(C(F)(F)F)nn2)C(C)C)cc1
InChIInChI=1S/C16H18F3N3O/c1-10(2)15(11-4-6-12(23-3)7-5-11)20-14-9-8-13(21-22-14)16(17,18)19/h4-10,15H,1-3H3,(H,20,22)
InChIKeyRAWVFUDRFBFUIO-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.31
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133432263) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133432263
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccc(C(Nc2ccc(C(F)(F)F)nn2)C(C)C)cc1
InChIInChI=1S/C16H18F3N3O/c1-10(2)15(11-4-6-12(23-3)7-5-11)20-14-9-8-13(21-22-14)16(17,18)19/h4-10,15H,1-3H3,(H,20,22)
InChIKeyRAWVFUDRFBFUIO-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133432263) is N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine is COc1ccc(C(Nc2ccc(C(F)(F)F)nn2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is RAWVFUDRFBFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-10(2)15(11-4-6-12(23-3)7-5-11)20-14-9-8-13(21-22-14)16(17,18)19/h4-10,15H,1-3H3,(H,20,22).
What are the key properties of N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 325.33 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-methylpropyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133432263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).