1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione

C8H6N4O5 — CID 57021774

IUPAC1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1cc([N+](=O)[O-])c2c(n1)[nH]c(=O)c(=O)n2O
InChIInChI=1S/C8H6N4O5/c1-3-2-4(12(16)17)5-6(9-3)10-7(13)8(14)11(5)15/h2,15H,1H3,(H,9,10,13)
InChIKeyXIYXTMCUJNYTJT-UHFFFAOYSA-N
MW238.16 g/mol
LogP-0.46
Rot. Bonds1

About 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione

1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 57021774) has the molecular formula C8H6N4O5 and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID57021774
Molecular FormulaC8H6N4O5
Molecular Weight238.16 g/mol
Exact Mass238.03
IUPAC Name1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1cc([N+](=O)[O-])c2c(n1)[nH]c(=O)c(=O)n2O
InChIInChI=1S/C8H6N4O5/c1-3-2-4(12(16)17)5-6(9-3)10-7(13)8(14)11(5)15/h2,15H,1H3,(H,9,10,13)
InChIKeyXIYXTMCUJNYTJT-UHFFFAOYSA-N
XLogP-0.46
TPSA131.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione
CID 14002040
6,7-dinitro-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
CID 10848460
4-hydroxy-7-nitro-6-(1,2,4-triazol-1-yl)-1H-quinoxaline-2,3-dione
CID 10684890
6-imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 5486547
6-methyl-7-nitro-4H-pyrido[2,3-b]pyrazin-3-one
CID 156679912
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398
5,7-dimethyl-3-nitro-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 683547
N-methyl-3-(6-methyl-3-nitro-2-pyridinyl)butan-2-amine
CID 81137765
1,8-dimethyl-3,5,7-trinitroquinolin-2-one
CID 102109905
7-nitro-3-propan-2-yl-6-(propan-2-ylamino)-1H-quinoxalin-2-one
CID 101030038
N-(6,7-dinitro-3-oxo-4H-quinoxalin-2-yl)methanesulfonamide
CID 54119002
6-[(2-methylaziridin-1-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione;hydrobromide
CID 45262758

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione (CID 57021774) is 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione is Cc1cc([N+](=O)[O-])c2c(n1)[nH]c(=O)c(=O)n2O.
What is the InChIKey of 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is XIYXTMCUJNYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O5/c1-3-2-4(12(16)17)5-6(9-3)10-7(13)8(14)11(5)15/h2,15H,1H3,(H,9,10,13).
What are the key properties of 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione?
1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 238.16 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 57021774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).