3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one

C7H8N4O2 — CID 56766713

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1noc(C2=NNC(=O)CC2)n1
InChIInChI=1S/C7H8N4O2/c1-4-8-7(13-11-4)5-2-3-6(12)10-9-5/h2-3H2,1H3,(H,10,12)
InChIKeyXPGWWEPQLYHARX-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.01
Rot. Bonds1

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 56766713) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID56766713
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1noc(C2=NNC(=O)CC2)n1
InChIInChI=1S/C7H8N4O2/c1-4-8-7(13-11-4)5-2-3-6(12)10-9-5/h2-3H2,1H3,(H,10,12)
InChIKeyXPGWWEPQLYHARX-UHFFFAOYSA-N
XLogP-0.01
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 56766713) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one is Cc1noc(C2=NNC(=O)CC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XPGWWEPQLYHARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-4-8-7(13-11-4)5-2-3-6(12)10-9-5/h2-3H2,1H3,(H,10,12).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 180.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 56766713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).