2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C9H10ClF3N4O — CID 123755735

IUPAC2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cnnc(Cl)c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(8(18)14-4-9(11,12)13)16-6-2-7(10)17-15-3-6/h2-3,5H,4H2,1H3,(H,14,18)(H,16,17)
InChIKeyJRYHOQULWMTSIT-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.61
Rot. Bonds4

About 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 123755735) has the molecular formula C9H10ClF3N4O and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID123755735
Molecular FormulaC9H10ClF3N4O
Molecular Weight282.65 g/mol
Exact Mass282.05
IUPAC Name2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1cnnc(Cl)c1)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H10ClF3N4O/c1-5(8(18)14-4-9(11,12)13)16-6-2-7(10)17-15-3-6/h2-3,5H,4H2,1H3,(H,14,18)(H,16,17)
InChIKeyJRYHOQULWMTSIT-UHFFFAOYSA-N
XLogP1.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 123755735) is 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1cnnc(Cl)c1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JRYHOQULWMTSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N4O/c1-5(8(18)14-4-9(11,12)13)16-6-2-7(10)17-15-3-6/h2-3,5H,4H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.65 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 123755735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).