3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine

C12H17ClN4 — CID 61445366

IUPAC3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
SMILESClCc1ccc(N2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C12H17ClN4/c13-9-10-1-4-12(15-14-10)17-7-5-16(6-8-17)11-2-3-11/h1,4,11H,2-3,5-9H2
InChIKeySQAFRVFINBTWMQ-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.50
Rot. Bonds3

About 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine

3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine (PubChem CID 61445366) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
PubChem CID61445366
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine
SMILESClCc1ccc(N2CCN(C3CC3)CC2)nn1
InChIInChI=1S/C12H17ClN4/c13-9-10-1-4-12(15-14-10)17-7-5-16(6-8-17)11-2-3-11/h1,4,11H,2-3,5-9H2
InChIKeySQAFRVFINBTWMQ-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine (CID 61445366) is 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine is ClCc1ccc(N2CCN(C3CC3)CC2)nn1.
What is the InChIKey of 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine?
The InChIKey is SQAFRVFINBTWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c13-9-10-1-4-12(15-14-10)17-7-5-16(6-8-17)11-2-3-11/h1,4,11H,2-3,5-9H2.
What are the key properties of 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine?
3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine has a molecular weight of 252.75 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(4-cyclopropylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 61445366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).