1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine

C20H22N4 — CID 6401093

IUPAC1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine
SMILESCCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H22N4/c1-2-23-12-14-24(15-13-23)20-18-11-7-6-10-17(18)19(21-22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyWZDWXCACHMLWPD-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine

1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine (PubChem CID 6401093) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine
PubChem CID6401093
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine
SMILESCCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C20H22N4/c1-2-23-12-14-24(15-13-23)20-18-11-7-6-10-17(18)19(21-22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3
InChIKeyWZDWXCACHMLWPD-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine (CID 6401093) is 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine is CCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine?
The InChIKey is WZDWXCACHMLWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-23-12-14-24(15-13-23)20-18-11-7-6-10-17(18)19(21-22-20)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine?
1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine has a molecular weight of 318.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-4-phenylphthalazine is sourced from PubChem (CID 6401093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).