2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide

C13H15ClF3N3O4 — CID 170776015

IUPAC2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide
SMILESCn1nc(Cl)c(CO)c(CC(=O)NC2(C(F)(F)F)CCOC2)c1=O
InChIInChI=1S/C13H15ClF3N3O4/c1-20-11(23)7(8(5-21)10(14)19-20)4-9(22)18-12(13(15,16)17)2-3-24-6-12/h21H,2-6H2,1H3,(H,18,22)
InChIKeyUUWDMWWGBCAJAA-UHFFFAOYSA-N
MW369.73 g/mol
LogP0.31
Rot. Bonds4

About 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide

2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide (PubChem CID 170776015) has the molecular formula C13H15ClF3N3O4 and a molecular weight of 369.73 g/mol. Its IUPAC name is 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide
PubChem CID170776015
Molecular FormulaC13H15ClF3N3O4
Molecular Weight369.73 g/mol
Exact Mass369.07
IUPAC Name2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide
SMILESCn1nc(Cl)c(CO)c(CC(=O)NC2(C(F)(F)F)CCOC2)c1=O
InChIInChI=1S/C13H15ClF3N3O4/c1-20-11(23)7(8(5-21)10(14)19-20)4-9(22)18-12(13(15,16)17)2-3-24-6-12/h21H,2-6H2,1H3,(H,18,22)
InChIKeyUUWDMWWGBCAJAA-UHFFFAOYSA-N
XLogP0.31
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.73
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide (CID 170776015) is 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide is Cn1nc(Cl)c(CO)c(CC(=O)NC2(C(F)(F)F)CCOC2)c1=O.
What is the InChIKey of 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide?
The InChIKey is UUWDMWWGBCAJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O4/c1-20-11(23)7(8(5-21)10(14)19-20)4-9(22)18-12(13(15,16)17)2-3-24-6-12/h21H,2-6H2,1H3,(H,18,22).
What are the key properties of 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide?
2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide has a molecular weight of 369.73 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(hydroxymethyl)-2-methyl-3-oxopyridazin-4-yl]-N-[3-(trifluoromethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 170776015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).