6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid

C10H16N2O3 — CID 61270333

IUPAC6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCC(CC)N1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O3/c1-3-7(4-2)12-9(13)6-5-8(11-12)10(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyCHPDQKAQPSCGGG-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.24
Rot. Bonds4

About 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid

6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 61270333) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID61270333
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCC(CC)N1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C10H16N2O3/c1-3-7(4-2)12-9(13)6-5-8(11-12)10(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyCHPDQKAQPSCGGG-UHFFFAOYSA-N
XLogP1.24
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid (CID 61270333) is 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid is CCC(CC)N1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is CHPDQKAQPSCGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-7(4-2)12-9(13)6-5-8(11-12)10(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid?
6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pentan-3-yl-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 61270333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).