1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione

C14H21N5O2 — CID 103056990

IUPAC1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
SMILESCCCNc1cnc(CN2CCN(CC)C(=O)C2=O)cn1
InChIInChI=1S/C14H21N5O2/c1-3-5-15-12-9-16-11(8-17-12)10-19-7-6-18(4-2)13(20)14(19)21/h8-9H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyQBVQLDKQDRITBO-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.49
Rot. Bonds6

About 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione

1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione (PubChem CID 103056990) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
PubChem CID103056990
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
SMILESCCCNc1cnc(CN2CCN(CC)C(=O)C2=O)cn1
InChIInChI=1S/C14H21N5O2/c1-3-5-15-12-9-16-11(8-17-12)10-19-7-6-18(4-2)13(20)14(19)21/h8-9H,3-7,10H2,1-2H3,(H,15,17)
InChIKeyQBVQLDKQDRITBO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
CID 103057285
3-[[5-(propylamino)pyrazin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103057419
5-propyl-3-[[5-(propylamino)pyrazin-2-yl]methyl]imidazolidine-2,4-dione
CID 103057085
1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 103061454
5-[(4-propan-2-ylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103502336
1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione
CID 103054656
N-methyl-1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidine-4-carboxamide
CID 103056085
3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
CID 103056602
N-propyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]pyrazin-2-amine
CID 103056905
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
CID 103057509
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103055739
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-propylpyrazin-2-amine
CID 103055458

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione (CID 103056990) is 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione is CCCNc1cnc(CN2CCN(CC)C(=O)C2=O)cn1.
What is the InChIKey of 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione?
The InChIKey is QBVQLDKQDRITBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-5-15-12-9-16-11(8-17-12)10-19-7-6-18(4-2)13(20)14(19)21/h8-9H,3-7,10H2,1-2H3,(H,15,17).
What are the key properties of 1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione?
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-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-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 103056990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).