6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile

C13H13N5O2 — CID 71860442

IUPAC6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN3C(=O)C(=O)NCC3C2)nc1
InChIInChI=1S/C13H13N5O2/c14-5-9-1-2-11(15-6-9)17-3-4-18-10(8-17)7-16-12(19)13(18)20/h1-2,6,10H,3-4,7-8H2,(H,16,19)
InChIKeyTYRWLELTJUBNJC-UHFFFAOYSA-N
MW271.28 g/mol
LogP-0.90
Rot. Bonds1

About 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile

6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile (PubChem CID 71860442) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile
PubChem CID71860442
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCN3C(=O)C(=O)NCC3C2)nc1
InChIInChI=1S/C13H13N5O2/c14-5-9-1-2-11(15-6-9)17-3-4-18-10(8-17)7-16-12(19)13(18)20/h1-2,6,10H,3-4,7-8H2,(H,16,19)
InChIKeyTYRWLELTJUBNJC-UHFFFAOYSA-N
XLogP-0.90
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.90
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

2-(5-methylpyrimidin-2-yl)-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
CID 133404031
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
6-(3-morpholin-4-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 175647980
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
6-[(3S)-3-ethenylpiperazin-1-yl]pyridine-3-carbonitrile
CID 135268156
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
7-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 80637251
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375

Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile (CID 71860442) is 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCN3C(=O)C(=O)NCC3C2)nc1.
What is the InChIKey of 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile?
The InChIKey is TYRWLELTJUBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-5-9-1-2-11(15-6-9)17-3-4-18-10(8-17)7-16-12(19)13(18)20/h1-2,6,10H,3-4,7-8H2,(H,16,19).
What are the key properties of 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile?
6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dioxo-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 71860442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).