(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone

C16H14F3N3O2S — CID 126773404

IUPAC(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(OCC(F)(F)F)nn1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-24-14-4-3-12(20-21-14)15(23)22-7-5-11(6-8-22)13-2-1-9-25-13/h1-5,9H,6-8,10H2
InChIKeyGONHQYUIJACCEV-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.41
Rot. Bonds4

About (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone

(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone (PubChem CID 126773404) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
PubChem CID126773404
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(OCC(F)(F)F)nn1)N1CC=C(c2cccs2)CC1
InChIInChI=1S/C16H14F3N3O2S/c17-16(18,19)10-24-14-4-3-12(20-21-14)15(23)22-7-5-11(6-8-22)13-2-1-9-25-13/h1-5,9H,6-8,10H2
InChIKeyGONHQYUIJACCEV-UHFFFAOYSA-N
XLogP3.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
The IUPAC name of (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone (CID 126773404) is (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
The canonical SMILES for (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone is O=C(c1ccc(OCC(F)(F)F)nn1)N1CC=C(c2cccs2)CC1.
What is the InChIKey of (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
The InChIKey is GONHQYUIJACCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c17-16(18,19)10-24-14-4-3-12(20-21-14)15(23)22-7-5-11(6-8-22)13-2-1-9-25-13/h1-5,9H,6-8,10H2.
What are the key properties of (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone?
(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone has a molecular weight of 369.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanone is sourced from PubChem (CID 126773404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).