3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol

C11H17ClN4O — CID 86762798

IUPAC3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H17ClN4O/c12-10-2-3-11(14-13-10)16-7-5-15(6-8-16)4-1-9-17/h2-3,17H,1,4-9H2
InChIKeyWOUJUKABDXSSEQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.63
Rot. Bonds4

About 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol

3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol (PubChem CID 86762798) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
PubChem CID86762798
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C11H17ClN4O/c12-10-2-3-11(14-13-10)16-7-5-15(6-8-16)4-1-9-17/h2-3,17H,1,4-9H2
InChIKeyWOUJUKABDXSSEQ-UHFFFAOYSA-N
XLogP0.63
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol (CID 86762798) is 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol is OCCCN1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is WOUJUKABDXSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-10-2-3-11(14-13-10)16-7-5-15(6-8-16)4-1-9-17/h2-3,17H,1,4-9H2.
What are the key properties of 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol?
3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 256.74 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 86762798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).