6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione

C14H13N5O3 — CID 74249301

IUPAC6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(-c3n[nH]c(C4CCOC4)n3)cc2[nH]c1=O
InChIInChI=1S/C14H13N5O3/c20-13-14(21)16-10-5-7(1-2-9(10)15-13)11-17-12(19-18-11)8-3-4-22-6-8/h1-2,5,8H,3-4,6H2,(H,15,20)(H,16,21)(H,17,18,19)
InChIKeyTVPBYQDHMJEVGW-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.51
Rot. Bonds2

About 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione

6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 74249301) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID74249301
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(-c3n[nH]c(C4CCOC4)n3)cc2[nH]c1=O
InChIInChI=1S/C14H13N5O3/c20-13-14(21)16-10-5-7(1-2-9(10)15-13)11-17-12(19-18-11)8-3-4-22-6-8/h1-2,5,8H,3-4,6H2,(H,15,20)(H,16,21)(H,17,18,19)
InChIKeyTVPBYQDHMJEVGW-UHFFFAOYSA-N
XLogP0.51
TPSA116.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-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

5-[5-[(3R)-oxolan-3-yl]-1H-1,2,4-triazol-3-yl]-2-phenyl-1H-pyrazol-3-one
CID 98312732
(3R)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxan-3-amine
CID 97339270
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
CID 79442335
5-methyl-2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 81136991
2-bromo-5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)aniline
CID 107814437
5-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1H-1,2,4-triazole
CID 63548842
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
3-(3-bromo-4-chlorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 107989217
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-methylpyridine
CID 106753267
3-(3-bromo-4-methylphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81471748
3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
CID 53192103
5-cyclopropyl-3-phenyl-1H-1,2,4-triazole
CID 61338880

Frequently Asked Questions

What is the IUPAC name of 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione (CID 74249301) is 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(-c3n[nH]c(C4CCOC4)n3)cc2[nH]c1=O.
What is the InChIKey of 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is TVPBYQDHMJEVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c20-13-14(21)16-10-5-7(1-2-9(10)15-13)11-17-12(19-18-11)8-3-4-22-6-8/h1-2,5,8H,3-4,6H2,(H,15,20)(H,16,21)(H,17,18,19).
What are the key properties of 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione?
6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 299.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 74249301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).