1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione

C10H17N3O2 — CID 141094094

IUPAC1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
SMILESCCCN1CCC(=O)N2CC(=O)NCC12
InChIInChI=1S/C10H17N3O2/c1-2-4-12-5-3-10(15)13-7-8(14)11-6-9(12)13/h9H,2-7H2,1H3,(H,11,14)
InChIKeyZQFIDKRUUUHWHN-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.61
Rot. Bonds2

About 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione

1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione (PubChem CID 141094094) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione.

Molecular Properties

Compound Name1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
PubChem CID141094094
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione
SMILESCCCN1CCC(=O)N2CC(=O)NCC12
InChIInChI=1S/C10H17N3O2/c1-2-4-12-5-3-10(15)13-7-8(14)11-6-9(12)13/h9H,2-7H2,1H3,(H,11,14)
InChIKeyZQFIDKRUUUHWHN-UHFFFAOYSA-N
XLogP-0.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 165138491
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2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
1-(fluoromethyl)-8-(2-methylbutyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 175934305
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CID 107439509
1-(fluoromethyl)-8-(2-methylbutyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;hydrochloride
CID 175934304
1-octyl-5-oxopiperazine-2-carboxylic acid
CID 107439699
3,6-dioxo-5,7,8,8a-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazine-1-carboxylic acid
CID 142956580
(2R)-2-methyl-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-1,4-diazepan-5-one
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(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
(4aR)-1-propyl-2,3,4,4a,5,6,7,8a-octahydroquinolin-8-one
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Frequently Asked Questions

What is the IUPAC name of 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione?
The IUPAC name of 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione (CID 141094094) is 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione.
What is the SMILES notation for 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione?
The canonical SMILES for 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione is CCCN1CCC(=O)N2CC(=O)NCC12.
What is the InChIKey of 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione?
The InChIKey is ZQFIDKRUUUHWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-12-5-3-10(15)13-7-8(14)11-6-9(12)13/h9H,2-7H2,1H3,(H,11,14).
What are the key properties of 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione?
1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione has a molecular weight of 211.26 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione is sourced from PubChem (CID 141094094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).