5-oxo-2-pentylpyridazine-4-carboxylic acid

C10H14N2O3 — CID 67928483

IUPAC5-oxo-2-pentylpyridazine-4-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)c(=O)cn1
InChIInChI=1S/C10H14N2O3/c1-2-3-4-5-12-7-8(10(14)15)9(13)6-11-12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyKYBGTXHUCBVLKG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.13
Rot. Bonds5

About 5-oxo-2-pentylpyridazine-4-carboxylic acid

5-oxo-2-pentylpyridazine-4-carboxylic acid (PubChem CID 67928483) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-oxo-2-pentylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-pentylpyridazine-4-carboxylic acid
PubChem CID67928483
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-oxo-2-pentylpyridazine-4-carboxylic acid
SMILESCCCCCn1cc(C(=O)O)c(=O)cn1
InChIInChI=1S/C10H14N2O3/c1-2-3-4-5-12-7-8(10(14)15)9(13)6-11-12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyKYBGTXHUCBVLKG-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-pentylpyridazine-4-carboxylic acid?
The IUPAC name of 5-oxo-2-pentylpyridazine-4-carboxylic acid (CID 67928483) is 5-oxo-2-pentylpyridazine-4-carboxylic acid.
What is the SMILES notation for 5-oxo-2-pentylpyridazine-4-carboxylic acid?
The canonical SMILES for 5-oxo-2-pentylpyridazine-4-carboxylic acid is CCCCCn1cc(C(=O)O)c(=O)cn1.
What is the InChIKey of 5-oxo-2-pentylpyridazine-4-carboxylic acid?
The InChIKey is KYBGTXHUCBVLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-4-5-12-7-8(10(14)15)9(13)6-11-12/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 5-oxo-2-pentylpyridazine-4-carboxylic acid?
5-oxo-2-pentylpyridazine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-pentylpyridazine-4-carboxylic acid is sourced from PubChem (CID 67928483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).