3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C13H18N6O3 — CID 110665131

IUPAC3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCc1nnc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)o1
InChIInChI=1S/C13H18N6O3/c1-2-11-16-17-13(22-11)19-7-5-18(6-8-19)12(21)9-3-4-10(20)15-14-9/h2-8H2,1H3,(H,15,20)
InChIKeyQJPNBAFIOMZNNP-UHFFFAOYSA-N
MW306.33 g/mol
LogP-0.45
Rot. Bonds3

About 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110665131) has the molecular formula C13H18N6O3 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110665131
Molecular FormulaC13H18N6O3
Molecular Weight306.33 g/mol
Exact Mass306.14
IUPAC Name3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCCc1nnc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)o1
InChIInChI=1S/C13H18N6O3/c1-2-11-16-17-13(22-11)19-7-5-18(6-8-19)12(21)9-3-4-10(20)15-14-9/h2-8H2,1H3,(H,15,20)
InChIKeyQJPNBAFIOMZNNP-UHFFFAOYSA-N
XLogP-0.45
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one with MolForge

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Related Compounds

3-(pyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43397830
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110603080
3-(4-tert-butylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61245068
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110417276
3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 4825839
3-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110810034
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
3-[4-(2-methylphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9153300
3-[4-(hydroxymethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 43582931
3H-benzimidazol-5-yl-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110665132
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 110665131) is 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is CCc1nnc(N2CCN(C(=O)C3=NNC(=O)CC3)CC2)o1.
What is the InChIKey of 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is QJPNBAFIOMZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O3/c1-2-11-16-17-13(22-11)19-7-5-18(6-8-19)12(21)9-3-4-10(20)15-14-9/h2-8H2,1H3,(H,15,20).
What are the key properties of 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 306.33 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110665131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).