3-ethyl-1,2-dihydropyridazine-4-carboxylic acid

C7H10N2O2 — CID 166091406

IUPAC3-ethyl-1,2-dihydropyridazine-4-carboxylic acid
SMILESCCC1=C(C(=O)O)C=CNN1
InChIInChI=1S/C7H10N2O2/c1-2-6-5(7(10)11)3-4-8-9-6/h3-4,8-9H,2H2,1H3,(H,10,11)
InChIKeyRXIMGDZWGZFHAH-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.36
Rot. Bonds2

About 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid

3-ethyl-1,2-dihydropyridazine-4-carboxylic acid (PubChem CID 166091406) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1,2-dihydropyridazine-4-carboxylic acid
PubChem CID166091406
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-ethyl-1,2-dihydropyridazine-4-carboxylic acid
SMILESCCC1=C(C(=O)O)C=CNN1
InChIInChI=1S/C7H10N2O2/c1-2-6-5(7(10)11)3-4-8-9-6/h3-4,8-9H,2H2,1H3,(H,10,11)
InChIKeyRXIMGDZWGZFHAH-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid?
The IUPAC name of 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid (CID 166091406) is 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid is CCC1=C(C(=O)O)C=CNN1.
What is the InChIKey of 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid?
The InChIKey is RXIMGDZWGZFHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-6-5(7(10)11)3-4-8-9-6/h3-4,8-9H,2H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid?
3-ethyl-1,2-dihydropyridazine-4-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dihydropyridazine-4-carboxylic acid is sourced from PubChem (CID 166091406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).