2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

C12H14F3N3O2 — CID 122246444

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C12H14F3N3O2/c1-7(11(20)16-6-12(13,14)15)18-10(19)5-4-9(17-18)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,16,20)
InChIKeyHSYJVUVAIKFFIS-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.36
Rot. Bonds4

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 122246444) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID122246444
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)NCC(F)(F)F)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C12H14F3N3O2/c1-7(11(20)16-6-12(13,14)15)18-10(19)5-4-9(17-18)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,16,20)
InChIKeyHSYJVUVAIKFFIS-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129531435
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CID 52695820
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CID 52695821
CID 52695821
CID 52695822
CID 52695822
CID 52695823
CID 52695823
CID 52695824
CID 52695824
CID 55874912
CID 55874912
CID 55875298
CID 55875298
CID 55875818
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CID 55876198
CID 55876198

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 122246444) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)NCC(F)(F)F)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HSYJVUVAIKFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-7(11(20)16-6-12(13,14)15)18-10(19)5-4-9(17-18)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3,(H,16,20).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 289.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 122246444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).