1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one

C10H16N4O — CID 146430025

IUPAC1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one
SMILESCCCC(=O)N1CCN2CN=CN=C2C1
InChIInChI=1S/C10H16N4O/c1-2-3-10(15)13-4-5-14-8-11-7-12-9(14)6-13/h7H,2-6,8H2,1H3
InChIKeySXIYVBMBHONLFE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.33
Rot. Bonds2

About 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one

1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one (PubChem CID 146430025) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one.

Molecular Properties

Compound Name1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one
PubChem CID146430025
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one
SMILESCCCC(=O)N1CCN2CN=CN=C2C1
InChIInChI=1S/C10H16N4O/c1-2-3-10(15)13-4-5-14-8-11-7-12-9(14)6-13/h7H,2-6,8H2,1H3
InChIKeySXIYVBMBHONLFE-UHFFFAOYSA-N
XLogP0.33
TPSA48.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one?
The IUPAC name of 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one (CID 146430025) is 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one.
What is the SMILES notation for 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one?
The canonical SMILES for 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one is CCCC(=O)N1CCN2CN=CN=C2C1.
What is the InChIKey of 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one?
The InChIKey is SXIYVBMBHONLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-3-10(15)13-4-5-14-8-11-7-12-9(14)6-13/h7H,2-6,8H2,1H3.
What are the key properties of 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one?
1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6,7,9-tetrahydropyrazino[1,2-a][1,3,5]triazin-8-yl)butan-1-one is sourced from PubChem (CID 146430025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).