1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol

C24H30N6O — CID 72539382

IUPAC1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)C(C)C2)c1C
InChIInChI=1S/C24H30N6O/c1-16-15-29(10-11-30(16)23-14-25-22(13-26-23)19(4)31)24-18(3)17(2)21(27-28-24)12-20-8-6-5-7-9-20/h5-9,13-14,16,19,31H,10-12,15H2,1-4H3
InChIKeyFIQWINPJOGLKAT-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.24
Rot. Bonds5

About 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol

1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol (PubChem CID 72539382) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol
PubChem CID72539382
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)C(C)C2)c1C
InChIInChI=1S/C24H30N6O/c1-16-15-29(10-11-30(16)23-14-25-22(13-26-23)19(4)31)24-18(3)17(2)21(27-28-24)12-20-8-6-5-7-9-20/h5-9,13-14,16,19,31H,10-12,15H2,1-4H3
InChIKeyFIQWINPJOGLKAT-UHFFFAOYSA-N
XLogP3.24
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol?
The IUPAC name of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol (CID 72539382) is 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol.
What is the SMILES notation for 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol?
The canonical SMILES for 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol is Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(C)O)cn3)C(C)C2)c1C.
What is the InChIKey of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol?
The InChIKey is FIQWINPJOGLKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-16-15-29(10-11-30(16)23-14-25-22(13-26-23)19(4)31)24-18(3)17(2)21(27-28-24)12-20-8-6-5-7-9-20/h5-9,13-14,16,19,31H,10-12,15H2,1-4H3.
What are the key properties of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol?
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol has a molecular weight of 418.55 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol is sourced from PubChem (CID 72539382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).