(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C21H20N4O2 — CID 121060375

IUPAC(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C21H20N4O2/c26-21(25-15-13-24(14-16-25)20-11-6-12-22-23-20)18-9-4-5-10-19(18)27-17-7-2-1-3-8-17/h1-12H,13-16H2
InChIKeyMCNBMLGLTLATMO-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.23
Rot. Bonds4

About (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060375) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060375
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C21H20N4O2/c26-21(25-15-13-24(14-16-25)20-11-6-12-22-23-20)18-9-4-5-10-19(18)27-17-7-2-1-3-8-17/h1-12H,13-16H2
InChIKeyMCNBMLGLTLATMO-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122347092
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122342360
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122338711
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122351043
2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060375) is (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is O=C(c1ccccc1Oc1ccccc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is MCNBMLGLTLATMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-21(25-15-13-24(14-16-25)20-11-6-12-22-23-20)18-9-4-5-10-19(18)27-17-7-2-1-3-8-17/h1-12H,13-16H2.
What are the key properties of (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).