oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

C17H21N5O2 — CID 71799911

IUPACoxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(14-4-3-13-24-14)22-11-9-21(10-12-22)16-6-5-15(18-19-16)20-7-1-2-8-20/h1-2,5-8,14H,3-4,9-13H2
InChIKeyBNVXIPBLDFFKMU-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.09
Rot. Bonds3

About oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 71799911) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID71799911
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Nameoxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(-n3cccc3)nn2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(14-4-3-13-24-14)22-11-9-21(10-12-22)16-6-5-15(18-19-16)20-7-1-2-8-20/h1-2,5-8,14H,3-4,9-13H2
InChIKeyBNVXIPBLDFFKMU-UHFFFAOYSA-N
XLogP1.09
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 71799911) is oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is O=C(C1CCCO1)N1CCN(c2ccc(-n3cccc3)nn2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is BNVXIPBLDFFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(14-4-3-13-24-14)22-11-9-21(10-12-22)16-6-5-15(18-19-16)20-7-1-2-8-20/h1-2,5-8,14H,3-4,9-13H2.
What are the key properties of oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 327.39 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 71799911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).