3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide

C12H16F3N3O2 — CID 104625735

IUPAC3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c1-3-10-9(6-8(2)16-17-10)11(20)18(4-5-19)7-12(13,14)15/h6,19H,3-5,7H2,1-2H3
InChIKeyXWYJPHMIAPUCSV-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.34
Rot. Bonds5

About 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide

3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide (PubChem CID 104625735) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
PubChem CID104625735
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O2/c1-3-10-9(6-8(2)16-17-10)11(20)18(4-5-19)7-12(13,14)15/h6,19H,3-5,7H2,1-2H3
InChIKeyXWYJPHMIAPUCSV-UHFFFAOYSA-N
XLogP1.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide (CID 104625735) is 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The InChIKey is XWYJPHMIAPUCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-3-10-9(6-8(2)16-17-10)11(20)18(4-5-19)7-12(13,14)15/h6,19H,3-5,7H2,1-2H3.
What are the key properties of 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide has a molecular weight of 291.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104625735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).