6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid

C10H12N2O3 — CID 114469998

IUPAC6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid
SMILESC=C(C)CCOc1ccc(C(=O)O)nn1
InChIInChI=1S/C10H12N2O3/c1-7(2)5-6-15-9-4-3-8(10(13)14)11-12-9/h3-4H,1,5-6H2,2H3,(H,13,14)
InChIKeyYOFJQCOPCIIVJO-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.52
Rot. Bonds5

About 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid

6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid (PubChem CID 114469998) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid
PubChem CID114469998
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid
SMILESC=C(C)CCOc1ccc(C(=O)O)nn1
InChIInChI=1S/C10H12N2O3/c1-7(2)5-6-15-9-4-3-8(10(13)14)11-12-9/h3-4H,1,5-6H2,2H3,(H,13,14)
InChIKeyYOFJQCOPCIIVJO-UHFFFAOYSA-N
XLogP1.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[2-[di(propan-2-yl)amino]ethoxy]pyridazine-3-carboxylic acid
CID 115505429
6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid
CID 60790691
3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid
CID 114470975
3-(3-methylbut-3-enoxy)thiophene-2-carboxylic acid
CID 114471319
4-methyl-3-(3-methylbut-3-enoxy)benzoic acid
CID 114471315
6-(4-methylpentan-2-yloxy)pyridazine-3-carboxylic acid
CID 60791315
1-[5-(3-methylbut-3-enoxy)-2-pyridinyl]propan-1-one
CID 114470248
5-methoxy-2-(3-methylbut-3-enoxy)benzoic acid
CID 114471317
6-(1-ethoxypropan-2-yloxy)pyridazine-3-carboxylic acid
CID 103487109
4-(3-methylbut-3-enylsulfanyl)pyridine-2-carboxylic acid
CID 114471358
3-chlorosulfonyl-4-(3-methylbut-3-enoxy)benzoic acid
CID 114471834
5-bromo-2-(3-methylbut-3-enoxy)pyridine-3-carboxylic acid
CID 114469984

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid (CID 114469998) is 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid is C=C(C)CCOc1ccc(C(=O)O)nn1.
What is the InChIKey of 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid?
The InChIKey is YOFJQCOPCIIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(2)5-6-15-9-4-3-8(10(13)14)11-12-9/h3-4H,1,5-6H2,2H3,(H,13,14).
What are the key properties of 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid?
6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-3-enoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 114469998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).