5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

C13H13N3O4S — CID 43356681

IUPAC5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2c(C)c(C)n[nH]c2=O)sc1C(=O)O
InChIInChI=1S/C13H13N3O4S/c1-5-4-8(21-10(5)13(19)20)14-11(17)9-6(2)7(3)15-16-12(9)18/h4H,1-3H3,(H,14,17)(H,16,18)(H,19,20)
InChIKeyUJCMNVSHXRWDEH-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.71
Rot. Bonds3

About 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid

5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (PubChem CID 43356681) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
PubChem CID43356681
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2c(C)c(C)n[nH]c2=O)sc1C(=O)O
InChIInChI=1S/C13H13N3O4S/c1-5-4-8(21-10(5)13(19)20)14-11(17)9-6(2)7(3)15-16-12(9)18/h4H,1-3H3,(H,14,17)(H,16,18)(H,19,20)
InChIKeyUJCMNVSHXRWDEH-UHFFFAOYSA-N
XLogP1.71
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid (CID 43356681) is 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)c2c(C)c(C)n[nH]c2=O)sc1C(=O)O.
What is the InChIKey of 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is UJCMNVSHXRWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-5-4-8(21-10(5)13(19)20)14-11(17)9-6(2)7(3)15-16-12(9)18/h4H,1-3H3,(H,14,17)(H,16,18)(H,19,20).
What are the key properties of 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid?
5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)amino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43356681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).