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

C13H19N3O3 — CID 54878915

IUPAC5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(CO)CC2)c1C
InChIInChI=1S/C13H19N3O3/c1-8-9(2)14-15-12(18)11(8)13(19)16-5-3-10(7-17)4-6-16/h10,17H,3-7H2,1-2H3,(H,15,18)
InChIKeyMQJVKGMSXVJLPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds2

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

5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 54878915) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID54878915
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(CO)CC2)c1C
InChIInChI=1S/C13H19N3O3/c1-8-9(2)14-15-12(18)11(8)13(19)16-5-3-10(7-17)4-6-16/h10,17H,3-7H2,1-2H3,(H,15,18)
InChIKeyMQJVKGMSXVJLPY-UHFFFAOYSA-N
XLogP0.23
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one (CID 54878915) is 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCC(CO)CC2)c1C.
What is the InChIKey of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is MQJVKGMSXVJLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-9(2)14-15-12(18)11(8)13(19)16-5-3-10(7-17)4-6-16/h10,17H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one?
5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 54878915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).