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

C10H15N3O — CID 129368413

IUPAC3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
SMILESC[C@H]1CCCN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C10H15N3O/c1-8-3-2-6-13(7-8)9-4-5-10(14)12-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyGTBLRVRRCXSDSM-QMMMGPOBSA-N
MW193.25 g/mol
LogP1.01
Rot. Bonds1

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

3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 129368413) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
PubChem CID129368413
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
SMILESC[C@H]1CCCN(c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C10H15N3O/c1-8-3-2-6-13(7-8)9-4-5-10(14)12-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyGTBLRVRRCXSDSM-QMMMGPOBSA-N
XLogP1.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(Trifluoromethyl)piperidin-1-yl)pyridazin-3-ol
CID 121205031
6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
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
2-Methyl-6-piperidin-1-ylpyridazin-3-one
CID 69406970
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
3,5-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887336

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one (CID 129368413) is 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one is C[C@H]1CCCN(c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GTBLRVRRCXSDSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-3-2-6-13(7-8)9-4-5-10(14)12-11-9/h4-5,8H,2-3,6-7H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one?
3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 129368413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).