1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C16H18N8O3 — CID 121146045

IUPAC1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C16H18N8O3/c25-14-3-4-15(26)23(14)9-16(27)22-7-5-21(6-8-22)12-1-2-13(20-19-12)24-11-17-10-18-24/h1-2,10-11H,3-9H2
InChIKeyOLTIXKQUVFJFAZ-UHFFFAOYSA-N
MW370.37 g/mol
LogP-1.15
Rot. Bonds4

About 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 121146045) has the molecular formula C16H18N8O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID121146045
Molecular FormulaC16H18N8O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC Name1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C16H18N8O3/c25-14-3-4-15(26)23(14)9-16(27)22-7-5-21(6-8-22)12-1-2-13(20-19-12)24-11-17-10-18-24/h1-2,10-11H,3-9H2
InChIKeyOLTIXKQUVFJFAZ-UHFFFAOYSA-N
XLogP-1.15
TPSA117.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
2-cyclopentyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 71811000
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
6-(4-fluorophenyl)-2-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121146070
1-[2-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121113938
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
CID 121145999
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336175
1-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 122336760
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 119105948
7-methyl-3-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 121146085
1H-1,2,4-triazol-5-yl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146117

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 121146045) is 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is OLTIXKQUVFJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O3/c25-14-3-4-15(26)23(14)9-16(27)22-7-5-21(6-8-22)12-1-2-13(20-19-12)24-11-17-10-18-24/h1-2,10-11H,3-9H2.
What are the key properties of 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 370.37 g/mol, XLogP of -1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121146045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).