1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine

C21H24N4 — CID 6400979

IUPAC1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
SMILESCCN1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H24N4/c1-3-24-12-14-25(15-13-24)21-19-7-5-4-6-18(19)20(22-23-21)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyKDCCDZMLOSJQNU-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine

1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine (PubChem CID 6400979) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
PubChem CID6400979
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine
SMILESCCN1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1
InChIInChI=1S/C21H24N4/c1-3-24-12-14-25(15-13-24)21-19-7-5-4-6-18(19)20(22-23-21)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
InChIKeyKDCCDZMLOSJQNU-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.75
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-(4-methylphenyl)phthalazine?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine (CID 6400979) is 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine is CCN1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine?
The InChIKey is KDCCDZMLOSJQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-24-12-14-25(15-13-24)21-19-7-5-4-6-18(19)20(22-23-21)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine?
1-(4-ethylpiperazin-1-yl)-4-(4-methylphenyl)phthalazine has a molecular weight of 332.45 g/mol, XLogP of 3.75, 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-(4-methylphenyl)phthalazine is sourced from PubChem (CID 6400979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).