3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one

C12H17N3O2 — CID 60759355

IUPAC3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C12H17N3O2/c1-8-9(2)13-14-11(16)10(8)12(17)15-6-4-3-5-7-15/h3-7H2,1-2H3,(H,14,16)
InChIKeyKQXLVYYOHUPWSY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds1

About 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one

3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 60759355) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID60759355
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C12H17N3O2/c1-8-9(2)13-14-11(16)10(8)12(17)15-6-4-3-5-7-15/h3-7H2,1-2H3,(H,14,16)
InChIKeyKQXLVYYOHUPWSY-UHFFFAOYSA-N
XLogP1.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one (CID 60759355) is 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCCCC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is KQXLVYYOHUPWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-9(2)13-14-11(16)10(8)12(17)15-6-4-3-5-7-15/h3-7H2,1-2H3,(H,14,16).
What are the key properties of 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one?
3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(piperidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 60759355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).