6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile

C10H8N4O2 — CID 15392040

IUPAC6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile
SMILESCc1nc2[nH]c(=O)c(=O)[nH]c2c(C)c1C#N
InChIInChI=1S/C10H8N4O2/c1-4-6(3-11)5(2)12-8-7(4)13-9(15)10(16)14-8/h1-2H3,(H,13,15)(H,12,14,16)
InChIKeySFIONUFZEALXJD-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.10
Rot. Bonds

About 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile

6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile (PubChem CID 15392040) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile.

Molecular Properties

Compound Name6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile
PubChem CID15392040
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile
SMILESCc1nc2[nH]c(=O)c(=O)[nH]c2c(C)c1C#N
InChIInChI=1S/C10H8N4O2/c1-4-6(3-11)5(2)12-8-7(4)13-9(15)10(16)14-8/h1-2H3,(H,13,15)(H,12,14,16)
InChIKeySFIONUFZEALXJD-UHFFFAOYSA-N
XLogP0.10
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-5,8-dihydropteridine-6,7-dione
CID 57062800
3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
CID 66980847
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
5,6-dimethyl-2-oxo-1H-pyrazine-3-carbonitrile
CID 58851982
2-hydroxy-4-methyl-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 11679891
4-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile
CID 91380344
ethane;2-methylsulfanyl-5,8-dihydro-3H-pteridine-4,6,7-trione
CID 145022040
2,6-dioxo-3,7-dihydropurine-8-carbonitrile
CID 152645473
6-amino-2,4-dimethyl-5-nitropyridine-3-carbonitrile
CID 54420031
4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759
5-ethyl-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 595327
7-chloro-6-methyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 57010179

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile?
The IUPAC name of 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile (CID 15392040) is 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile.
What is the SMILES notation for 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile?
The canonical SMILES for 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile is Cc1nc2[nH]c(=O)c(=O)[nH]c2c(C)c1C#N.
What is the InChIKey of 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile?
The InChIKey is SFIONUFZEALXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-4-6(3-11)5(2)12-8-7(4)13-9(15)10(16)14-8/h1-2H3,(H,13,15)(H,12,14,16).
What are the key properties of 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile?
6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile has a molecular weight of 216.20 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,3-dioxo-1,4-dihydropyrido[2,3-b]pyrazine-7-carbonitrile is sourced from PubChem (CID 15392040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).