3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride

C9H15ClN4O — CID 146050578

IUPAC3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride
SMILESCl.NC1CCCN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C9H14N4O.ClH/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);1H
InChIKeyOYDFHBGDUQISRF-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.12
Rot. Bonds1

About 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride

3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride (PubChem CID 146050578) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride
PubChem CID146050578
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride
SMILESCl.NC1CCCN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C9H14N4O.ClH/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);1H
InChIKeyOYDFHBGDUQISRF-UHFFFAOYSA-N
XLogP0.12
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.12
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-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
4-methyl-3-[(1-methylpiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 155284729

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride (CID 146050578) is 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride is Cl.NC1CCCN(c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride?
The InChIKey is OYDFHBGDUQISRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.ClH/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);1H.
What are the key properties of 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride?
3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 146050578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).