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

C25H30N6O — CID 72539377

IUPAC1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone
SMILESCCC1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1
InChIInChI=1S/C25H30N6O/c1-5-21-16-30(11-12-31(21)24-15-26-23(14-27-24)19(4)32)25-18(3)17(2)22(28-29-25)13-20-9-7-6-8-10-20/h6-10,14-15,21H,5,11-13,16H2,1-4H3
InChIKeyYZLNTKQPNGTLIH-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.78
Rot. Bonds6

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

1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone (PubChem CID 72539377) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone
PubChem CID72539377
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone
SMILESCCC1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1
InChIInChI=1S/C25H30N6O/c1-5-21-16-30(11-12-31(21)24-15-26-23(14-27-24)19(4)32)25-18(3)17(2)22(28-29-25)13-20-9-7-6-8-10-20/h6-10,14-15,21H,5,11-13,16H2,1-4H3
InChIKeyYZLNTKQPNGTLIH-UHFFFAOYSA-N
XLogP3.78
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.78
H-Bond Donors ≤ 50
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-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone (CID 72539377) is 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone is CCC1CN(c2nnc(Cc3ccccc3)c(C)c2C)CCN1c1cnc(C(C)=O)cn1.
What is the InChIKey of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone?
The InChIKey is YZLNTKQPNGTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-5-21-16-30(11-12-31(21)24-15-26-23(14-27-24)19(4)32)25-18(3)17(2)22(28-29-25)13-20-9-7-6-8-10-20/h6-10,14-15,21H,5,11-13,16H2,1-4H3.
What are the key properties of 1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone?
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone has a molecular weight of 430.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 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-ethylpiperazin-1-yl]pyrazin-2-yl]ethanone is sourced from PubChem (CID 72539377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).