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

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Related Compounds

3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110665089
N,N-dimethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carboxamide
CID 38131946
2-methyl-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 110395525
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 110713119
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 46524653
[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110658400
N-[3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110742092
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163

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).