2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3N3O4 — CID 78990612

IUPAC2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1nc(C(=O)N(CC(=O)O)CC(F)(F)F)ccc1=O
InChIInChI=1S/C10H10F3N3O4/c1-15-7(17)3-2-6(14-15)9(20)16(4-8(18)19)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,18,19)
InChIKeyCKMUMEOXMVGMMK-UHFFFAOYSA-N
MW293.20 g/mol
LogP-0.13
Rot. Bonds4

About 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990612) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990612
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCn1nc(C(=O)N(CC(=O)O)CC(F)(F)F)ccc1=O
InChIInChI=1S/C10H10F3N3O4/c1-15-7(17)3-2-6(14-15)9(20)16(4-8(18)19)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,18,19)
InChIKeyCKMUMEOXMVGMMK-UHFFFAOYSA-N
XLogP-0.13
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methyl-6-oxopyridazin-1(6H)-yl)acetic acid
CID 3159587
2-(3-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)propanoic acid
CID 24252592
Ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
CID 55008099
Ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 56181382
2-[(6-oxo-1H-pyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258134
3,3,3-Trifluoro-2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 79796066
2-Fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetic acid
CID 81297484
2-[3-Methyl-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]acetic acid
CID 86775700
Ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 86864658
ethyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130861
methyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130862
2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetic acid
CID 92130863

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990612) is 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cn1nc(C(=O)N(CC(=O)O)CC(F)(F)F)ccc1=O.
What is the InChIKey of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CKMUMEOXMVGMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c1-15-7(17)3-2-6(14-15)9(20)16(4-8(18)19)5-10(11,12)13/h2-3H,4-5H2,1H3,(H,18,19).
What are the key properties of 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 293.20 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).