1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone

C12H17N5O — CID 141072428

IUPAC1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)N1CCN2CCNCC2C1
InChIInChI=1S/C12H17N5O/c18-12(11-8-13-1-2-15-11)17-6-5-16-4-3-14-7-10(16)9-17/h1-2,8,10,14H,3-7,9H2
InChIKeyUMBLSMSDMJJVNZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.79
Rot. Bonds1

About 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone

1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone (PubChem CID 141072428) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone
PubChem CID141072428
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone
SMILESO=C(c1cnccn1)N1CCN2CCNCC2C1
InChIInChI=1S/C12H17N5O/c18-12(11-8-13-1-2-15-11)17-6-5-16-4-3-14-7-10(16)9-17/h1-2,8,10,14H,3-7,9H2
InChIKeyUMBLSMSDMJJVNZ-UHFFFAOYSA-N
XLogP-0.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone with MolForge

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
(2-methylpiperazin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71639489
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
1,4-diazabicyclo[2.2.2]octan-2-yl(pyrazin-2-yl)methanone
CID 79969896
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110814149
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone (CID 141072428) is 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone is O=C(c1cnccn1)N1CCN2CCNCC2C1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone?
The InChIKey is UMBLSMSDMJJVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c18-12(11-8-13-1-2-15-11)17-6-5-16-4-3-14-7-10(16)9-17/h1-2,8,10,14H,3-7,9H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone?
1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone has a molecular weight of 247.30 g/mol, XLogP of -0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone is sourced from PubChem (CID 141072428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).