3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one

C9H14N4O — CID 124938644

IUPAC3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one
SMILESN[C@H]1CCCN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C9H14N4O/c10-7-2-1-5-13(6-7)8-3-4-9(14)12-11-8/h3-4,7H,1-2,5-6,10H2,(H,12,14)/t7-/m0/s1
InChIKeyUSCNZMFSZFEYHB-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds1

About 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one

3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 124938644) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one
PubChem CID124938644
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one
SMILESN[C@H]1CCCN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C9H14N4O/c10-7-2-1-5-13(6-7)8-3-4-9(14)12-11-8/h3-4,7H,1-2,5-6,10H2,(H,12,14)/t7-/m0/s1
InChIKeyUSCNZMFSZFEYHB-ZETCQYMHSA-N
XLogP-0.30
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
6-(4,4-Difluoropiperidin-1-yl)pyridazin-3-ol
CID 121205030
6-(4-(2-Fluorocyclobutyl)piperazin-1-yl)pyridazin-3-ol
CID 168021762
6-(3-Aminopyrrolidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052719
6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
6-(Piperazin-1-yl)pyridazin-3(2H)-one
CID 5121298
6-(4-Methylpiperidin-1-yl)pyridazin-3-ol
CID 10465204
6-(4-Methylpiperazin-1-yl)pyridazin-3-ol
CID 13103527
4-(6-Hydroxypyridazin-3-yl)piperazine, hydrobromide
CID 20437730
6-(Piperazin-1-yl)pyridazin-3-ol hydrochloride
CID 68509903
6-(Cyclohexylamino)pyridazin-3-ol
CID 94830610
4-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1H-pyridazin-6-one
CID 155284728

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one (CID 124938644) is 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one is N[C@H]1CCCN(c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is USCNZMFSZFEYHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7-2-1-5-13(6-7)8-3-4-9(14)12-11-8/h3-4,7H,1-2,5-6,10H2,(H,12,14)/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one?
3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopiperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 124938644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).