5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one

C10H16N4O — CID 91812155

IUPAC5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(N)CC2)cc1=O
InChIInChI=1S/C10H16N4O/c1-13-10(15)6-9(7-12-13)14-4-2-8(11)3-5-14/h6-8H,2-5,11H2,1H3
InChIKeyOEFMGMRPSLGZPO-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.29
Rot. Bonds1

About 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one

5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one (PubChem CID 91812155) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one
PubChem CID91812155
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(N)CC2)cc1=O
InChIInChI=1S/C10H16N4O/c1-13-10(15)6-9(7-12-13)14-4-2-8(11)3-5-14/h6-8H,2-5,11H2,1H3
InChIKeyOEFMGMRPSLGZPO-UHFFFAOYSA-N
XLogP-0.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
2-(3-methyl-2-buten-1-yl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 29023190
3-[4-(4-methyl-1-piperazinyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 56910372
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
4-Methyl-N-[1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924002
2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
CID 91924017
4-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924027
3,3-Dimethyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924031
N-[1-(1-Methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924039
2-Ethyl-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924044
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methylbutanamide
CID 91924046
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-4-methylpentanamide
CID 91924052

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one?
The IUPAC name of 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one (CID 91812155) is 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one?
The canonical SMILES for 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one is Cn1ncc(N2CCC(N)CC2)cc1=O.
What is the InChIKey of 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one?
The InChIKey is OEFMGMRPSLGZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13-10(15)6-9(7-12-13)14-4-2-8(11)3-5-14/h6-8H,2-5,11H2,1H3.
What are the key properties of 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one?
5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one has a molecular weight of 208.26 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopiperidin-1-yl)-2-methylpyridazin-3-one is sourced from PubChem (CID 91812155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).