6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid

C10H10N2O3 — CID 114695804

IUPAC6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid
SMILESC#CCCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C10H10N2O3/c1-2-3-4-7-12-9(13)6-5-8(11-12)10(14)15/h1,5-6H,3-4,7H2,(H,14,15)
InChIKeyCSGFTXZTEARLNG-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.35
Rot. Bonds4

About 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid

6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid (PubChem CID 114695804) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid
PubChem CID114695804
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid
SMILESC#CCCCn1nc(C(=O)O)ccc1=O
InChIInChI=1S/C10H10N2O3/c1-2-3-4-7-12-9(13)6-5-8(11-12)10(14)15/h1,5-6H,3-4,7H2,(H,14,15)
InChIKeyCSGFTXZTEARLNG-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid (CID 114695804) is 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid is C#CCCCn1nc(C(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid?
The InChIKey is CSGFTXZTEARLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-3-4-7-12-9(13)6-5-8(11-12)10(14)15/h1,5-6H,3-4,7H2,(H,14,15).
What are the key properties of 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid?
6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pent-4-ynylpyridazine-3-carboxylic acid is sourced from PubChem (CID 114695804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).