(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C21H20N4O — CID 68700057

IUPAC(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C21H20N4O/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)25-15-13-24(14-16-25)20-7-4-12-22-23-20/h1-12H,13-16H2
InChIKeyHXWQWMSVEYXDEN-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.11
Rot. Bonds3

About (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 68700057) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID68700057
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C21H20N4O/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)25-15-13-24(14-16-25)20-7-4-12-22-23-20/h1-12H,13-16H2
InChIKeyHXWQWMSVEYXDEN-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 68700057) is (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is HXWQWMSVEYXDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21(19-10-8-18(9-11-19)17-5-2-1-3-6-17)25-15-13-24(14-16-25)20-7-4-12-22-23-20/h1-12H,13-16H2.
What are the key properties of (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68700057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).