2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3N3O5 — CID 79265081

IUPAC2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)5-15(4-9(20)21)8(19)3-16-7(18)2-1-6(17)14-16/h1-2H,3-5H2,(H,14,17)(H,20,21)
InChIKeyFQVVSLQZQGFRCR-UHFFFAOYSA-N
MW309.20 g/mol
LogP-0.99
Rot. Bonds5

About 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265081) has the molecular formula C10H10F3N3O5 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265081
Molecular FormulaC10H10F3N3O5
Molecular Weight309.20 g/mol
Exact Mass309.06
IUPAC Name2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C10H10F3N3O5/c11-10(12,13)5-15(4-9(20)21)8(19)3-16-7(18)2-1-6(17)14-16/h1-2H,3-5H2,(H,14,17)(H,20,21)
InChIKeyFQVVSLQZQGFRCR-UHFFFAOYSA-N
XLogP-0.99
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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Related Compounds

2-(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-1-yl)acetic acid
CID 229302
2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetohydrazide 2,2,2-trifluoroacetate
CID 71749878
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788579
2-(3,6-dioxo-1H-pyridazin-2-yl)-2-fluoroacetic acid
CID 81296535
N-(2,2-difluoroethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 107482906
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483404
C16H18F3N5O7
CID 156026926
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 10036667
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetic acid
CID 43354354
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetic acid
CID 43356157
methyl 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-methylamino]acetate
CID 43407597
2-[[2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465285

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265081) is 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FQVVSLQZQGFRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O5/c11-10(12,13)5-15(4-9(20)21)8(19)3-16-7(18)2-1-6(17)14-16/h1-2H,3-5H2,(H,14,17)(H,20,21).
What are the key properties of 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 309.20 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).