6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one

C13H18N4O3 — CID 42161844

IUPAC6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCN(C(C)=O)CC2)ccc1=O
InChIInChI=1S/C13H18N4O3/c1-3-17-12(19)5-4-11(14-17)13(20)16-8-6-15(7-9-16)10(2)18/h4-5H,3,6-9H2,1-2H3
InChIKeyAMTDVVYXLXHWSV-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.43
Rot. Bonds2

About 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one

6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one (PubChem CID 42161844) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one
PubChem CID42161844
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CCN(C(C)=O)CC2)ccc1=O
InChIInChI=1S/C13H18N4O3/c1-3-17-12(19)5-4-11(14-17)13(20)16-8-6-15(7-9-16)10(2)18/h4-5H,3,6-9H2,1-2H3
InChIKeyAMTDVVYXLXHWSV-UHFFFAOYSA-N
XLogP-0.43
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one (CID 42161844) is 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one is CCn1nc(C(=O)N2CCN(C(C)=O)CC2)ccc1=O.
What is the InChIKey of 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one?
The InChIKey is AMTDVVYXLXHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-17-12(19)5-4-11(14-17)13(20)16-8-6-15(7-9-16)10(2)18/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one?
6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one has a molecular weight of 278.31 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylpiperazine-1-carbonyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 42161844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).