3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid

C10H12N2O3 — CID 114470975

IUPAC3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid
SMILESC=C(C)CCOc1nnccc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(2)4-6-15-9-8(10(13)14)3-5-11-12-9/h3,5H,1,4,6H2,2H3,(H,13,14)
InChIKeyRAILDRGNYKMWQH-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.52
Rot. Bonds5

About 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid

3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid (PubChem CID 114470975) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid
PubChem CID114470975
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid
SMILESC=C(C)CCOc1nnccc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(2)4-6-15-9-8(10(13)14)3-5-11-12-9/h3,5H,1,4,6H2,2H3,(H,13,14)
InChIKeyRAILDRGNYKMWQH-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

3,6-dimethoxypyridazine-4-carboxylic Acid
CID 2761045
6-Methoxypyridazine-4-carboxylic acid
CID 73357704
3-(Cyclopropylmethoxy)pyridazine-4-carboxylicacid
CID 80517411
3,6-Dimethoxy-4-pyridazinecarboxylic acid ethyl ester
CID 15880580
3-(2,2,3,3-Tetrafluoropropoxy)pyridazine-4-carboxylic acid
CID 80516975
3-(2,2,2-Trifluoroethoxy)pyridazine-4-carboxylic acid
CID 80517022
3-(1,1,1-Trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid
CID 80518417
3-(2,2-Difluoroethoxy)pyridazine-4-carboxylic acid
CID 82009314
3-(4,4,4-Trifluorobutoxy)pyridazine-4-carboxylic acid
CID 82792449
3-(3,3,3-Trifluoropropoxy)pyridazine-4-carboxylic acid
CID 82956660
6-(2,2,2-Trifluoroethoxy)pyridazine-4-carboxylic acid
CID 97180487
3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid
CID 102723373

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid (CID 114470975) is 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid is C=C(C)CCOc1nnccc1C(=O)O.
What is the InChIKey of 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid?
The InChIKey is RAILDRGNYKMWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(2)4-6-15-9-8(10(13)14)3-5-11-12-9/h3,5H,1,4,6H2,2H3,(H,13,14).
What are the key properties of 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid?
3-(3-methylbut-3-enoxy)pyridazine-4-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 3-(3-methylbut-3-enoxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 114470975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).