2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one

C17H26N4O4 — CID 91774135

IUPAC2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)COCC3CCCCO3)CC2)cc1=O
InChIInChI=1S/C17H26N4O4/c1-19-16(22)10-14(11-18-19)20-5-7-21(8-6-20)17(23)13-24-12-15-4-2-3-9-25-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyFZXRWPXSYORUPD-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.01
Rot. Bonds5

About 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 91774135) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one
PubChem CID91774135
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)COCC3CCCCO3)CC2)cc1=O
InChIInChI=1S/C17H26N4O4/c1-19-16(22)10-14(11-18-19)20-5-7-21(8-6-20)17(23)13-24-12-15-4-2-3-9-25-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyFZXRWPXSYORUPD-UHFFFAOYSA-N
XLogP0.01
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one (CID 91774135) is 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(C(=O)COCC3CCCCO3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is FZXRWPXSYORUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-19-16(22)10-14(11-18-19)20-5-7-21(8-6-20)17(23)13-24-12-15-4-2-3-9-25-15/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 350.42 g/mol, XLogP of 0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[2-(oxan-2-ylmethoxy)acetyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91774135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).