2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one

C14H23N5O — CID 56859871

IUPAC2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(C3CCCNC3)CC2)cc1=O
InChIInChI=1S/C14H23N5O/c1-17-14(20)9-13(11-16-17)19-7-5-18(6-8-19)12-3-2-4-15-10-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyRCDLYRONVSHCKT-UHFFFAOYSA-N
MW277.37 g/mol
LogP-0.35
Rot. Bonds2

About 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one

2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one (PubChem CID 56859871) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one
PubChem CID56859871
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one
SMILESCn1ncc(N2CCN(C3CCCNC3)CC2)cc1=O
InChIInChI=1S/C14H23N5O/c1-17-14(20)9-13(11-16-17)19-7-5-18(6-8-19)12-3-2-4-15-10-12/h9,11-12,15H,2-8,10H2,1H3
InChIKeyRCDLYRONVSHCKT-UHFFFAOYSA-N
XLogP-0.35
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one (CID 56859871) is 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one is Cn1ncc(N2CCN(C3CCCNC3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is RCDLYRONVSHCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-17-14(20)9-13(11-16-17)19-7-5-18(6-8-19)12-3-2-4-15-10-12/h9,11-12,15H,2-8,10H2,1H3.
What are the key properties of 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one?
2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 277.37 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-piperidin-3-ylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 56859871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).