N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide

C11H12F3N3O2 — CID 122277992

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)15-5-6-17-9(18)4-3-8(16-17)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,19)
InChIKeyDYXAFDTXMXJAOT-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.80
Rot. Bonds4

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 122277992) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID122277992
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCn1nc(C2CC2)ccc1=O)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)15-5-6-17-9(18)4-3-8(16-17)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,19)
InChIKeyDYXAFDTXMXJAOT-UHFFFAOYSA-N
XLogP0.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 122277992) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCn1nc(C2CC2)ccc1=O)C(F)(F)F.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DYXAFDTXMXJAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)10(19)15-5-6-17-9(18)4-3-8(16-17)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,15,19).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 275.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 122277992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).