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

C12H14N6O3 — CID 110665089

IUPAC3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1nnc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)o1
InChIInChI=1S/C12H14N6O3/c1-8-13-16-12(21-8)18-6-4-17(5-7-18)11(20)9-2-3-10(19)15-14-9/h2-3H,4-7H2,1H3,(H,15,19)
InChIKeyRMFURMCBJXRFSF-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.58
Rot. Bonds2

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

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110665089) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110665089
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1nnc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)o1
InChIInChI=1S/C12H14N6O3/c1-8-13-16-12(21-8)18-6-4-17(5-7-18)11(20)9-2-3-10(19)15-14-9/h2-3H,4-7H2,1H3,(H,15,19)
InChIKeyRMFURMCBJXRFSF-UHFFFAOYSA-N
XLogP-0.58
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110742086
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90506344
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
furan-2-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603036
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110619740
3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 121060100
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90491225

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110665089) is 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1nnc(N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)o1.
What is the InChIKey of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is RMFURMCBJXRFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-8-13-16-12(21-8)18-6-4-17(5-7-18)11(20)9-2-3-10(19)15-14-9/h2-3H,4-7H2,1H3,(H,15,19).
What are the key properties of 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 290.28 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110665089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).