[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone

C16H24N4O3 — CID 126861712

IUPAC[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1ccc(OCCN2CCN(C(=O)C3CCOC3)CC2)nn1
InChIInChI=1S/C16H24N4O3/c1-13-2-3-15(18-17-13)23-11-9-19-5-7-20(8-6-19)16(21)14-4-10-22-12-14/h2-3,14H,4-12H2,1H3
InChIKeyYBBMDPSWDBCYSK-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.34
Rot. Bonds5

About [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone

[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 126861712) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID126861712
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1ccc(OCCN2CCN(C(=O)C3CCOC3)CC2)nn1
InChIInChI=1S/C16H24N4O3/c1-13-2-3-15(18-17-13)23-11-9-19-5-7-20(8-6-19)16(21)14-4-10-22-12-14/h2-3,14H,4-12H2,1H3
InChIKeyYBBMDPSWDBCYSK-UHFFFAOYSA-N
XLogP0.34
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone (CID 126861712) is [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone is Cc1ccc(OCCN2CCN(C(=O)C3CCOC3)CC2)nn1.
What is the InChIKey of [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is YBBMDPSWDBCYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-13-2-3-15(18-17-13)23-11-9-19-5-7-20(8-6-19)16(21)14-4-10-22-12-14/h2-3,14H,4-12H2,1H3.
What are the key properties of [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 320.39 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 126861712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).