2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

C11H17N3O4S — CID 43170214

IUPAC2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-14-9(15)4-3-7(13-14)10(16)12-8(11(17)18)5-6-19-2/h8H,3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyGFNZUQYTDQKVOE-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.08
Rot. Bonds6

About 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 43170214) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID43170214
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC Name2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCCC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O
InChIInChI=1S/C11H17N3O4S/c1-14-9(15)4-3-7(13-14)10(16)12-8(11(17)18)5-6-19-2/h8H,3-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyGFNZUQYTDQKVOE-UHFFFAOYSA-N
XLogP-0.08
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid (CID 43170214) is 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid is CSCCC(NC(=O)C1=NN(C)C(=O)CC1)C(=O)O.
What is the InChIKey of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is GFNZUQYTDQKVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-14-9(15)4-3-7(13-14)10(16)12-8(11(17)18)5-6-19-2/h8H,3-6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 287.34 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 43170214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).