2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one

C17H26N4O3 — CID 71852925

IUPAC2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C3CCOC3)CC2)ccc1=O
InChIInChI=1S/C17H26N4O3/c1-2-3-7-21-16(22)5-4-15(18-21)17(23)20-10-8-19(9-11-20)14-6-12-24-13-14/h4-5,14H,2-3,6-13H2,1H3
InChIKeyZTRZPIKGKVOCBK-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.59
Rot. Bonds5

About 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one

2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 71852925) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID71852925
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCCCn1nc(C(=O)N2CCN(C3CCOC3)CC2)ccc1=O
InChIInChI=1S/C17H26N4O3/c1-2-3-7-21-16(22)5-4-15(18-21)17(23)20-10-8-19(9-11-20)14-6-12-24-13-14/h4-5,14H,2-3,6-13H2,1H3
InChIKeyZTRZPIKGKVOCBK-UHFFFAOYSA-N
XLogP0.59
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one (CID 71852925) is 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one is CCCCn1nc(C(=O)N2CCN(C3CCOC3)CC2)ccc1=O.
What is the InChIKey of 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is ZTRZPIKGKVOCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-3-7-21-16(22)5-4-15(18-21)17(23)20-10-8-19(9-11-20)14-6-12-24-13-14/h4-5,14H,2-3,6-13H2,1H3.
What are the key properties of 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one?
2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 334.42 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 71852925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).