3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one

C11H17N3O — CID 121205011

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CC(C)CN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C11H17N3O/c1-8-5-9(2)7-14(6-8)10-3-4-11(15)13-12-10/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)
InChIKeyVLYZNULDLPLMKC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.25
Rot. Bonds1

About 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one

3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 121205011) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID121205011
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESCC1CC(C)CN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C11H17N3O/c1-8-5-9(2)7-14(6-8)10-3-4-11(15)13-12-10/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)
InChIKeyVLYZNULDLPLMKC-UHFFFAOYSA-N
XLogP1.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
3-(2,2-difluoro-4,4-dimethyl-6-azaspiro[2.5]octan-6-yl)-1H-pyridazin-6-one
CID 156423964
ethane;3-piperidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168249968
6-(4,4-Difluoropiperidin-1-yl)pyridazin-3-ol
CID 121205030
6-(4-(Trifluoromethyl)piperidin-1-yl)pyridazin-3-ol
CID 121205031
6-(4-Methylpiperidin-1-yl)pyridazin-3-ol
CID 10465204
6-[4-(3-chloropropyl)-1-piperidinyl]-3(2H)-pyridazinone
CID 14989226
3-[4-(2-chloroethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 19748218
6-(Butyl(ethyl)amino)pyridazin-3-ol
CID 121205017
3-[ethyl(2-methylpropyl)amino]-1H-pyridazin-6-one
CID 141300649
2-Ethyl-6-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 167253866
6-(Dipropylamino)pyridazin-3(2H)-one
CID 71409624

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one (CID 121205011) is 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one is CC1CC(C)CN(c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is VLYZNULDLPLMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-9(2)7-14(6-8)10-3-4-11(15)13-12-10/h3-4,8-9H,5-7H2,1-2H3,(H,13,15).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one?
3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 121205011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).