3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine

C16H19ClN4 — CID 15124551

IUPAC3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
SMILESCCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H19ClN4/c1-2-13-4-3-5-14(12-13)20-8-10-21(11-9-20)16-7-6-15(17)18-19-16/h3-7,12H,2,8-11H2,1H3
InChIKeyVXEJUCZSCJEOKR-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine

3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine (PubChem CID 15124551) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
PubChem CID15124551
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine
SMILESCCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H19ClN4/c1-2-13-4-3-5-14(12-13)20-8-10-21(11-9-20)16-7-6-15(17)18-19-16/h3-7,12H,2,8-11H2,1H3
InChIKeyVXEJUCZSCJEOKR-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine (CID 15124551) is 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine is CCc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine?
The InChIKey is VXEJUCZSCJEOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-2-13-4-3-5-14(12-13)20-8-10-21(11-9-20)16-7-6-15(17)18-19-16/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine?
3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine has a molecular weight of 302.81 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(3-ethylphenyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 15124551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).