2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide

C12H16F3N3O2 — CID 146077840

IUPAC2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)10(20)16-6-7-18-9(19)5-4-8(17-18)12(13,14)15/h4-5H,6-7H2,1-3H3,(H,16,20)
InChIKeyRDTVCERXQURTAW-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.42
Rot. Bonds3

About 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide (PubChem CID 146077840) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide
PubChem CID146077840
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Name2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)10(20)16-6-7-18-9(19)5-4-8(17-18)12(13,14)15/h4-5H,6-7H2,1-3H3,(H,16,20)
InChIKeyRDTVCERXQURTAW-UHFFFAOYSA-N
XLogP1.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide (CID 146077840) is 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide is CC(C)(C)C(=O)NCCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide?
The InChIKey is RDTVCERXQURTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-11(2,3)10(20)16-6-7-18-9(19)5-4-8(17-18)12(13,14)15/h4-5H,6-7H2,1-3H3,(H,16,20).
What are the key properties of 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide has a molecular weight of 291.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[6-oxo-3-(trifluoromethyl)pyridazin-1-yl]ethyl]propanamide is sourced from PubChem (CID 146077840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).