N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

C14H20F3N3O — CID 82990885

IUPACN-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCC1(CC)CC(Nc2ccc(C(F)(F)F)nn2)CCO1
InChIInChI=1S/C14H20F3N3O/c1-3-13(4-2)9-10(7-8-21-13)18-12-6-5-11(19-20-12)14(15,16)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyBJVWRRFWQSXFQW-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.65
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 82990885) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID82990885
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCC1(CC)CC(Nc2ccc(C(F)(F)F)nn2)CCO1
InChIInChI=1S/C14H20F3N3O/c1-3-13(4-2)9-10(7-8-21-13)18-12-6-5-11(19-20-12)14(15,16)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,20)
InChIKeyBJVWRRFWQSXFQW-UHFFFAOYSA-N
XLogP3.65
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 82990885) is N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine is CCC1(CC)CC(Nc2ccc(C(F)(F)F)nn2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is BJVWRRFWQSXFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-13(4-2)9-10(7-8-21-13)18-12-6-5-11(19-20-12)14(15,16)17/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 82990885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).