(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride

C12H20Cl2N4O — CID 119564341

IUPAC(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
SMILESCc1cnc(C(=O)N2CC(C)NC(C)C2)cn1.Cl.Cl
InChIInChI=1S/C12H18N4O.2ClH/c1-8-4-14-11(5-13-8)12(17)16-6-9(2)15-10(3)7-16;;/h4-5,9-10,15H,6-7H2,1-3H3;2*1H
InChIKeyIGROYNGHCXRNRY-UHFFFAOYSA-N
MW307.23 g/mol
LogP1.45
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride

(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride (PubChem CID 119564341) has the molecular formula C12H20Cl2N4O and a molecular weight of 307.23 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
PubChem CID119564341
Molecular FormulaC12H20Cl2N4O
Molecular Weight307.23 g/mol
Exact Mass306.10
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
SMILESCc1cnc(C(=O)N2CC(C)NC(C)C2)cn1.Cl.Cl
InChIInChI=1S/C12H18N4O.2ClH/c1-8-4-14-11(5-13-8)12(17)16-6-9(2)15-10(3)7-16;;/h4-5,9-10,15H,6-7H2,1-3H3;2*1H
InChIKeyIGROYNGHCXRNRY-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride (CID 119564341) is (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride is Cc1cnc(C(=O)N2CC(C)NC(C)C2)cn1.Cl.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride?
The InChIKey is IGROYNGHCXRNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.2ClH/c1-8-4-14-11(5-13-8)12(17)16-6-9(2)15-10(3)7-16;;/h4-5,9-10,15H,6-7H2,1-3H3;2*1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride?
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride has a molecular weight of 307.23 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119564341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).