[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C20H20N6O — CID 119066291

IUPAC[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2)nn1
InChIInChI=1S/C20H20N6O/c1-15-2-7-18(24-23-15)16-3-5-17(6-4-16)20(27)26-12-10-25(11-13-26)19-14-21-8-9-22-19/h2-9,14H,10-13H2,1H3
InChIKeyXNEVKDFVIBRMGK-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.20
Rot. Bonds3

About [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 119066291) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID119066291
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2)nn1
InChIInChI=1S/C20H20N6O/c1-15-2-7-18(24-23-15)16-3-5-17(6-4-16)20(27)26-12-10-25(11-13-26)19-14-21-8-9-22-19/h2-9,14H,10-13H2,1H3
InChIKeyXNEVKDFVIBRMGK-UHFFFAOYSA-N
XLogP2.20
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
[4-(2-methylpropyl)phenyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378659
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 156585288
[4-(6-methoxypyridazin-3-yl)phenyl]-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 134802267
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
[6-(dimethylamino)-3-pyridinyl]-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 138378091
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 119066291) is [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2ccc(C(=O)N3CCN(c4cnccn4)CC3)cc2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XNEVKDFVIBRMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-15-2-7-18(24-23-15)16-3-5-17(6-4-16)20(27)26-12-10-25(11-13-26)19-14-21-8-9-22-19/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 119066291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).