1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride

C19H21ClN4 — CID 45261463

IUPAC1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
SMILESCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.Cl
InChIInChI=1S/C19H20N4.ClH/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15;/h2-10H,11-14H2,1H3;1H
InChIKeySIFCWMUKVLRQER-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.47
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride

1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride (PubChem CID 45261463) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
PubChem CID45261463
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
SMILESCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.Cl
InChIInChI=1S/C19H20N4.ClH/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15;/h2-10H,11-14H2,1H3;1H
InChIKeySIFCWMUKVLRQER-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride (CID 45261463) is 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride is CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.Cl.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride?
The InChIKey is SIFCWMUKVLRQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4.ClH/c1-22-11-13-23(14-12-22)19-17-10-6-5-9-16(17)18(20-21-19)15-7-3-2-4-8-15;/h2-10H,11-14H2,1H3;1H.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride?
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride is sourced from PubChem (CID 45261463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).