2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one

C15H26N4O — CID 107914573

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCC2CCCCN2C)c(=O)c1
InChIInChI=1S/C15H26N4O/c1-12(2)17-13-10-15(20)19(16-11-13)9-7-14-6-4-5-8-18(14)3/h10-12,14,17H,4-9H2,1-3H3
InChIKeyOJADKPSIMUYZMA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one

2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 107914573) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID107914573
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCC2CCCCN2C)c(=O)c1
InChIInChI=1S/C15H26N4O/c1-12(2)17-13-10-15(20)19(16-11-13)9-7-14-6-4-5-8-18(14)3/h10-12,14,17H,4-9H2,1-3H3
InChIKeyOJADKPSIMUYZMA-UHFFFAOYSA-N
XLogP1.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopropylamino)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914577
5-(2-aminopropoxy)-2-[2-(1-methylpiperidin-2-yl)ethyl]pyridazin-3-one
CID 107914611
2-(2-cyclohexylethyl)-5-(methylamino)pyridazin-3-one
CID 114193602
2-(2-oxo-2-piperidin-1-ylethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219554
5-(propan-2-ylamino)-2-(2-pyrazol-1-ylethyl)pyridazin-3-one
CID 103219386
2-[(5,5-dimethyloxolan-2-yl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219578
1-methyl-2-[2-(5-methylpyrazol-1-yl)ethyl]piperidine
CID 107914184
2-[(3,5-difluorophenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one
CID 103219479
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436255
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one (CID 107914573) is 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CCC2CCCCN2C)c(=O)c1.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is OJADKPSIMUYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)17-13-10-15(20)19(16-11-13)9-7-14-6-4-5-8-18(14)3/h10-12,14,17H,4-9H2,1-3H3.
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one?
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 107914573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).