2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C10H12ClF3N4O2 — CID 71871010

IUPAC2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H12ClF3N4O2/c1-17(5-10(12,13)14)7(19)4-15-6-3-16-18(2)9(20)8(6)11/h3,15H,4-5H2,1-2H3
InChIKeyBOICILOXRPBZHF-UHFFFAOYSA-N
MW312.68 g/mol
LogP0.87
Rot. Bonds4

About 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71871010) has the molecular formula C10H12ClF3N4O2 and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71871010
Molecular FormulaC10H12ClF3N4O2
Molecular Weight312.68 g/mol
Exact Mass312.06
IUPAC Name2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H12ClF3N4O2/c1-17(5-10(12,13)14)7(19)4-15-6-3-16-18(2)9(20)8(6)11/h3,15H,4-5H2,1-2H3
InChIKeyBOICILOXRPBZHF-UHFFFAOYSA-N
XLogP0.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71871010) is 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BOICILOXRPBZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N4O2/c1-17(5-10(12,13)14)7(19)4-15-6-3-16-18(2)9(20)8(6)11/h3,15H,4-5H2,1-2H3.
What are the key properties of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 312.68 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71871010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).