6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

C14H14N6O3 — CID 143835174

IUPAC6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCOc1nc(C)nc(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1
InChIInChI=1S/C14H14N6O3/c1-3-23-14-16-7(2)15-13(20-14)17-8-4-5-9-10(6-8)19-12(22)11(21)18-9/h4-6H,3H2,1-2H3,(H,18,21)(H,19,22)(H,15,16,17,20)
InChIKeyZCORMQDTJPXHIP-UHFFFAOYSA-N
MW314.31 g/mol
LogP0.85
Rot. Bonds4

About 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 143835174) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID143835174
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCOc1nc(C)nc(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1
InChIInChI=1S/C14H14N6O3/c1-3-23-14-16-7(2)15-13(20-14)17-8-4-5-9-10(6-8)19-12(22)11(21)18-9/h4-6H,3H2,1-2H3,(H,18,21)(H,19,22)(H,15,16,17,20)
InChIKeyZCORMQDTJPXHIP-UHFFFAOYSA-N
XLogP0.85
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

5-[[4-ethoxy-6-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 67015901
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
6-ethoxy-2-N-(4-fluoro-3-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80825210
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
5-[[4,6-bis(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 146542596
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887
2-(4-ethoxyanilino)-4-methyl-1H-pyrimidin-6-one
CID 135645208
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (CID 143835174) is 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is CCOc1nc(C)nc(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)n1.
What is the InChIKey of 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ZCORMQDTJPXHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-3-23-14-16-7(2)15-13(20-14)17-8-4-5-9-10(6-8)19-12(22)11(21)18-9/h4-6H,3H2,1-2H3,(H,18,21)(H,19,22)(H,15,16,17,20).
What are the key properties of 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 314.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethoxy-6-methyl-1,3,5-triazin-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 143835174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).