2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide

C15H21N5O3 — CID 166303756

IUPAC2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)N1CCn2c(n[nH]c(=O)c2=O)C1
InChIInChI=1S/C15H21N5O3/c1-4-6-18(7-5-2)14(22)11(3)19-8-9-20-12(10-19)16-17-13(21)15(20)23/h4-5,11H,1-2,6-10H2,3H3,(H,17,21)
InChIKeyLJBLLHSRVWAJMH-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.66
Rot. Bonds6

About 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide

2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide (PubChem CID 166303756) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide
PubChem CID166303756
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)C(C)N1CCn2c(n[nH]c(=O)c2=O)C1
InChIInChI=1S/C15H21N5O3/c1-4-6-18(7-5-2)14(22)11(3)19-8-9-20-12(10-19)16-17-13(21)15(20)23/h4-5,11H,1-2,6-10H2,3H3,(H,17,21)
InChIKeyLJBLLHSRVWAJMH-UHFFFAOYSA-N
XLogP-0.66
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide (CID 166303756) is 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)C(C)N1CCn2c(n[nH]c(=O)c2=O)C1.
What is the InChIKey of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is LJBLLHSRVWAJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-4-6-18(7-5-2)14(22)11(3)19-8-9-20-12(10-19)16-17-13(21)15(20)23/h4-5,11H,1-2,6-10H2,3H3,(H,17,21).
What are the key properties of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide?
2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 319.37 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 166303756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).