(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone

C13H21N5O — CID 107375674

IUPAC(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCN(C)C(C)C2)cn1
InChIInChI=1S/C13H21N5O/c1-4-14-12-8-15-11(7-16-12)13(19)18-6-5-17(3)10(2)9-18/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)
InChIKeyUVYOENWBIJWZDX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.68
Rot. Bonds3

About (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone

(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone (PubChem CID 107375674) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
PubChem CID107375674
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCN(C)C(C)C2)cn1
InChIInChI=1S/C13H21N5O/c1-4-14-12-8-15-11(7-16-12)13(19)18-6-5-17(3)10(2)9-18/h7-8,10H,4-6,9H2,1-3H3,(H,14,16)
InChIKeyUVYOENWBIJWZDX-UHFFFAOYSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
[5-(ethylamino)pyrazin-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107376098
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
(3,4-dihydroxypyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377330
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
[5-(3-methoxypropylamino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109276272
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375601
(4-methylpiperazin-1-yl)-[5-(2-methylpropylamino)pyrazin-2-yl]methanone
CID 109272935
(4-ethylpiperazin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 109270974

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
The IUPAC name of (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone (CID 107375674) is (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone is CCNc1cnc(C(=O)N2CCN(C)C(C)C2)cn1.
What is the InChIKey of (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
The InChIKey is UVYOENWBIJWZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-14-12-8-15-11(7-16-12)13(19)18-6-5-17(3)10(2)9-18/h7-8,10H,4-6,9H2,1-3H3,(H,14,16).
What are the key properties of (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone?
(3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylpiperazin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).