3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one

C9H14N4O — CID 178116543

IUPAC3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESC[C@H]1CNCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O/c1-7-6-10-4-5-13(7)8-2-3-9(14)12-11-8/h2-3,7,10H,4-6H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyIVFGMZWVNBHMJE-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.43
Rot. Bonds1

About 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one

3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 178116543) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
PubChem CID178116543
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one
SMILESC[C@H]1CNCCN1c1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O/c1-7-6-10-4-5-13(7)8-2-3-9(14)12-11-8/h2-3,7,10H,4-6H2,1H3,(H,12,14)/t7-/m0/s1
InChIKeyIVFGMZWVNBHMJE-ZETCQYMHSA-N
XLogP-0.43
TPSA61.02 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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Fluoroethyl)-6-(piperazin-1-yl)-2,3-dihydropyridazin-3-one
CID 126843873
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
6-(Propylamino)pyridazin-3(2H)-one
CID 13274963
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
4-(6-Hydroxypyridazin-3-yl)piperazine, hydrobromide
CID 20437730
2-methyl-6-piperazin-1-yl-2H-pyridazin-3-one
CID 46397568
6-(Piperazin-1-yl)pyridazin-3-ol hydrochloride
CID 68509903
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-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one (CID 178116543) is 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one is C[C@H]1CNCCN1c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is IVFGMZWVNBHMJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-6-10-4-5-13(7)8-2-3-9(14)12-11-8/h2-3,7,10H,4-6H2,1H3,(H,12,14)/t7-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one?
3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 178116543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).