6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione

C10H6N6O4 — CID 10446009

IUPAC6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(-n3cncn3)c([N+](=O)[O-])cc2[nH]c1=O
InChIInChI=1S/C10H6N6O4/c17-9-10(18)14-6-2-8(16(19)20)7(1-5(6)13-9)15-4-11-3-12-15/h1-4H,(H,13,17)(H,14,18)
InChIKeyDQBZQPPFSNFCRS-UHFFFAOYSA-N
MW274.20 g/mol
LogP-0.29
Rot. Bonds2

About 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione

6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10446009) has the molecular formula C10H6N6O4 and a molecular weight of 274.20 g/mol. Its IUPAC name is 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10446009
Molecular FormulaC10H6N6O4
Molecular Weight274.20 g/mol
Exact Mass274.05
IUPAC Name6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(-n3cncn3)c([N+](=O)[O-])cc2[nH]c1=O
InChIInChI=1S/C10H6N6O4/c17-9-10(18)14-6-2-8(16(19)20)7(1-5(6)13-9)15-4-11-3-12-15/h1-4H,(H,13,17)(H,14,18)
InChIKeyDQBZQPPFSNFCRS-UHFFFAOYSA-N
XLogP-0.29
TPSA139.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

YM-90K Free base
CID 5486548
7-Nitro-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 10130815
1-hydroxy-7-(1H-imidazol-1-yl)-6-nitro-2,3(1H,4H)-quinoxalinedione
CID 10356805
6-Nitro-7-(4-nitroimidazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione
CID 10471113
1-hydroxy-6-(1-imidazolyl)-7-nitroquinoxaline-2,3-(1H,4H)-dione
CID 10493636
4-hydroxy-7-nitro-6-(1,2,4-triazol-1-yl)-1H-quinoxaline-2,3-dione
CID 10684890
2-(3-nitro-1,2,4-triazol-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 52280991
7,8-dinitro-1,2,4-triazolo[4,3-a]quinoxalin-4(5H)-one
CID 10378701
1,4-Dihydro-7-(1H-imidazol-1-yl)-5-nitro-2,3-quinoxalinedione
CID 11778044
7,8-dinitrotetrazolo[1,5-a]quinoxalin-4(5H)-one
CID 10016333
7-nitrotetrazolo[1,5-a]quinoxalin-4(5H)-one
CID 10059800
8-Nitro-5H-1,2,3,5,9b-pentaaza-cyclopenta[a]naphthalen-4-one
CID 10059801

Frequently Asked Questions

What is the IUPAC name of 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione (CID 10446009) is 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(-n3cncn3)c([N+](=O)[O-])cc2[nH]c1=O.
What is the InChIKey of 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is DQBZQPPFSNFCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O4/c17-9-10(18)14-6-2-8(16(19)20)7(1-5(6)13-9)15-4-11-3-12-15/h1-4H,(H,13,17)(H,14,18).
What are the key properties of 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione?
6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 274.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-7-(1,2,4-triazol-1-yl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10446009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).