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

C13H16N6O3 — CID 110742086

IUPAC3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1nnc(CN2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)o1
InChIInChI=1S/C13H16N6O3/c1-9-14-17-12(22-9)8-18-4-6-19(7-5-18)13(21)10-2-3-11(20)16-15-10/h2-3H,4-8H2,1H3,(H,16,20)
InChIKeyUEZSFZWEERZGRW-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.58
Rot. Bonds3

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

3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110742086) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110742086
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCc1nnc(CN2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)o1
InChIInChI=1S/C13H16N6O3/c1-9-14-17-12(22-9)8-18-4-6-19(7-5-18)13(21)10-2-3-11(20)16-15-10/h2-3H,4-8H2,1H3,(H,16,20)
InChIKeyUEZSFZWEERZGRW-UHFFFAOYSA-N
XLogP-0.58
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110742086) is 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1nnc(CN2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)o1.
What is the InChIKey of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is UEZSFZWEERZGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3/c1-9-14-17-12(22-9)8-18-4-6-19(7-5-18)13(21)10-2-3-11(20)16-15-10/h2-3H,4-8H2,1H3,(H,16,20).
What are the key properties of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 304.31 g/mol, XLogP of -0.58, 3 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)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110742086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).