1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione

C13H15N3O2 — CID 70171467

IUPAC1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione
SMILESCCCCCc1nnccc1N1C(=O)C=CC1=O
InChIInChI=1S/C13H15N3O2/c1-2-3-4-5-10-11(8-9-14-15-10)16-12(17)6-7-13(16)18/h6-9H,2-5H2,1H3
InChIKeyIYZXPLUJAQSKAY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.64
Rot. Bonds5

About 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione

1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione (PubChem CID 70171467) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione
PubChem CID70171467
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione
SMILESCCCCCc1nnccc1N1C(=O)C=CC1=O
InChIInChI=1S/C13H15N3O2/c1-2-3-4-5-10-11(8-9-14-15-10)16-12(17)6-7-13(16)18/h6-9H,2-5H2,1H3
InChIKeyIYZXPLUJAQSKAY-UHFFFAOYSA-N
XLogP1.64
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione (CID 70171467) is 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione is CCCCCc1nnccc1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione?
The InChIKey is IYZXPLUJAQSKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-3-4-5-10-11(8-9-14-15-10)16-12(17)6-7-13(16)18/h6-9H,2-5H2,1H3.
What are the key properties of 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione?
1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentylpyridazin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 70171467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).