3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide

C10H12ClF3N4O2 — CID 114436495

IUPAC3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H12ClF3N4O2/c1-15-7(19)2-3-16-6-4-17-18(5-10(12,13)14)9(20)8(6)11/h4,16H,2-3,5H2,1H3,(H,15,19)
InChIKeyRCTRYDYJBJGXBB-UHFFFAOYSA-N
MW312.68 g/mol
LogP1.01
Rot. Bonds5

About 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide

3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide (PubChem CID 114436495) has the molecular formula C10H12ClF3N4O2 and a molecular weight of 312.68 g/mol. Its IUPAC name is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide
PubChem CID114436495
Molecular FormulaC10H12ClF3N4O2
Molecular Weight312.68 g/mol
Exact Mass312.06
IUPAC Name3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl
InChIInChI=1S/C10H12ClF3N4O2/c1-15-7(19)2-3-16-6-4-17-18(5-10(12,13)14)9(20)8(6)11/h4,16H,2-3,5H2,1H3,(H,15,19)
InChIKeyRCTRYDYJBJGXBB-UHFFFAOYSA-N
XLogP1.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide (CID 114436495) is 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide is CNC(=O)CCNc1cnn(CC(F)(F)F)c(=O)c1Cl.
What is the InChIKey of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide?
The InChIKey is RCTRYDYJBJGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O2/c1-15-7(19)2-3-16-6-4-17-18(5-10(12,13)14)9(20)8(6)11/h4,16H,2-3,5H2,1H3,(H,15,19).
What are the key properties of 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide?
3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide has a molecular weight of 312.68 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-chloro-6-oxo-1-(2,2,2-trifluoroethyl)pyridazin-4-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 114436495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).