2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one

C14H22N4O2 — CID 77090772

IUPAC2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(CC3CCOC3)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-16-14(19)8-13(9-15-16)18-5-3-17(4-6-18)10-12-2-7-20-11-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyORRJKHJFIOLIBG-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.06
Rot. Bonds3

About 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one

2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 77090772) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
PubChem CID77090772
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(CC3CCOC3)CC2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-16-14(19)8-13(9-15-16)18-5-3-17(4-6-18)10-12-2-7-20-11-12/h8-9,12H,2-7,10-11H2,1H3
InChIKeyORRJKHJFIOLIBG-UHFFFAOYSA-N
XLogP-0.06
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one (CID 77090772) is 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(CC3CCOC3)CC2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is ORRJKHJFIOLIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-16-14(19)8-13(9-15-16)18-5-3-17(4-6-18)10-12-2-7-20-11-12/h8-9,12H,2-7,10-11H2,1H3.
What are the key properties of 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 77090772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).