3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine

C14H22N4O — CID 58044020

IUPAC3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(N2CCN(C3COC3)CC2)nn1
InChIInChI=1S/C14H22N4O/c1-11(2)13-3-4-14(16-15-13)18-7-5-17(6-8-18)12-9-19-10-12/h3-4,11-12H,5-10H2,1-2H3
InChIKeyHRNITYBSEOPLON-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.12
Rot. Bonds3

About 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine

3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine (PubChem CID 58044020) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine
PubChem CID58044020
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(N2CCN(C3COC3)CC2)nn1
InChIInChI=1S/C14H22N4O/c1-11(2)13-3-4-14(16-15-13)18-7-5-17(6-8-18)12-9-19-10-12/h3-4,11-12H,5-10H2,1-2H3
InChIKeyHRNITYBSEOPLON-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine?
The IUPAC name of 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine (CID 58044020) is 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine?
The canonical SMILES for 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine is CC(C)c1ccc(N2CCN(C3COC3)CC2)nn1.
What is the InChIKey of 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine?
The InChIKey is HRNITYBSEOPLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)13-3-4-14(16-15-13)18-7-5-17(6-8-18)12-9-19-10-12/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine?
3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine has a molecular weight of 262.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(oxetan-3-yl)piperazin-1-yl]-6-propan-2-ylpyridazine is sourced from PubChem (CID 58044020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).