2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C21H21N5O — CID 121058240

IUPAC2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C21H21N5O/c27-21(16-17-4-2-1-3-5-17)26-14-12-25(13-15-26)20-7-6-19(23-24-20)18-8-10-22-11-9-18/h1-11H,12-16H2
InChIKeyTUKCUEWAEXVDRB-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.43
Rot. Bonds4

About 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 121058240) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID121058240
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1
InChIInChI=1S/C21H21N5O/c27-21(16-17-4-2-1-3-5-17)26-14-12-25(13-15-26)20-7-6-19(23-24-20)18-8-10-22-11-9-18/h1-11H,12-16H2
InChIKeyTUKCUEWAEXVDRB-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058265
N-benzyl-2-methyl-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]propanamide
CID 42832328
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
1,2-oxazol-5-yl-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058281
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]-2-phenylacetamide
CID 46006208
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
2-(4-bromophenyl)-1-[4-(6-thiophen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 41233311
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108753633
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 121058240) is 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCN(c2ccc(-c3ccncc3)nn2)CC1.
What is the InChIKey of 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is TUKCUEWAEXVDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21(16-17-4-2-1-3-5-17)26-14-12-25(13-15-26)20-7-6-19(23-24-20)18-8-10-22-11-9-18/h1-11H,12-16H2.
What are the key properties of 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 121058240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).