2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide

C12H10F3N3O3 — CID 16905497

IUPAC2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)11(20)16-5-6-18-10(19)4-3-8(17-18)9-2-1-7-21-9/h1-4,7H,5-6H2,(H,16,20)
InChIKeyRWRQCWDRQIXKMV-UHFFFAOYSA-N
MW301.22 g/mol
LogP1.18
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide (PubChem CID 16905497) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
PubChem CID16905497
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)C(F)(F)F
InChIInChI=1S/C12H10F3N3O3/c13-12(14,15)11(20)16-5-6-18-10(19)4-3-8(17-18)9-2-1-7-21-9/h1-4,7H,5-6H2,(H,16,20)
InChIKeyRWRQCWDRQIXKMV-UHFFFAOYSA-N
XLogP1.18
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Furan-2-yl)pyridazin-3-ol
CID 8032595
(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 6371505
N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide
CID 5335357
2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxo-N-(prop-2-en-1-yl)acetamide
CID 5918964
2-(4-fluorophenyl)-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 16674817
2,6-difluoro-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)benzamide
CID 16905484
N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-3-(trifluoromethyl)benzamide
CID 16905487
2-(2-fluorophenoxy)-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 25816719
2-(4-fluorophenoxy)-N-{3-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}acetamide
CID 25882239
N-[1-(furan-2-yl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42896858
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 46961343
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 46961350

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide (CID 16905497) is 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The InChIKey is RWRQCWDRQIXKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c13-12(14,15)11(20)16-5-6-18-10(19)4-3-8(17-18)9-2-1-7-21-9/h1-4,7H,5-6H2,(H,16,20).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide has a molecular weight of 301.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 16905497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).