1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione

C14H21N5O2 — CID 103057509

IUPAC1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cnc(NCC)cn2)CC1=O
InChIInChI=1S/C14H21N5O2/c1-3-5-18-9-14(21)19(10-13(18)20)8-11-6-17-12(7-16-11)15-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,15,17)
InChIKeyOTNYGHYTRVXELZ-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.49
Rot. Bonds6

About 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione

1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione (PubChem CID 103057509) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
PubChem CID103057509
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cnc(NCC)cn2)CC1=O
InChIInChI=1S/C14H21N5O2/c1-3-5-18-9-14(21)19(10-13(18)20)8-11-6-17-12(7-16-11)15-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,15,17)
InChIKeyOTNYGHYTRVXELZ-UHFFFAOYSA-N
XLogP0.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione
CID 103054614
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
CID 103057285
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
CID 103056548
N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
1-[[6-(methylamino)-2-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
CID 79942321
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
CID 103056990
1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-methylpiperazine-2,5-dione
CID 79942226
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103057808
5-ethyl-3-[[5-(ethylamino)pyrazin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 103057107
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103055473
1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione
CID 104514012
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione (CID 103057509) is 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cnc(NCC)cn2)CC1=O.
What is the InChIKey of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is OTNYGHYTRVXELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-5-18-9-14(21)19(10-13(18)20)8-11-6-17-12(7-16-11)15-4-2/h6-7H,3-5,8-10H2,1-2H3,(H,15,17).
What are the key properties of 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione?
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione has a molecular weight of 291.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 103057509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).