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

C8H8ClF3N4O — CID 129207452

IUPAC2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1cnnc(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C8H8ClF3N4O/c9-6-1-5(2-15-16-6)13-3-7(17)14-4-8(10,11)12/h1-2H,3-4H2,(H,13,16)(H,14,17)
InChIKeyVMICGBPPEROIGF-UHFFFAOYSA-N
MW268.63 g/mol
LogP1.22
Rot. Bonds4

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

2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 129207452) has the molecular formula C8H8ClF3N4O and a molecular weight of 268.63 g/mol. Its IUPAC name is 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID129207452
Molecular FormulaC8H8ClF3N4O
Molecular Weight268.63 g/mol
Exact Mass268.03
IUPAC Name2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1cnnc(Cl)c1)NCC(F)(F)F
InChIInChI=1S/C8H8ClF3N4O/c9-6-1-5(2-15-16-6)13-3-7(17)14-4-8(10,11)12/h1-2H,3-4H2,(H,13,16)(H,14,17)
InChIKeyVMICGBPPEROIGF-UHFFFAOYSA-N
XLogP1.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.63
LogP ≤ 51.22
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)acetamide?
The IUPAC name of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 129207452) is 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1cnnc(Cl)c1)NCC(F)(F)F.
What is the InChIKey of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VMICGBPPEROIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N4O/c9-6-1-5(2-15-16-6)13-3-7(17)14-4-8(10,11)12/h1-2H,3-4H2,(H,13,16)(H,14,17).
What are the key properties of 2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(6-chloropyridazin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.63 g/mol, XLogP of 1.22, 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)acetamide is sourced from PubChem (CID 129207452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).