6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H14N4O3 — CID 62067059

IUPAC6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2COc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-12(18)11(15-17(2)13(16)19)14-9-7-20-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyNQZYPMGBOAXWNH-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.02
Rot. Bonds2

About 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62067059) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62067059
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2COc3ccccc32)c(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-12(18)11(15-17(2)13(16)19)14-9-7-20-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,14,15)
InChIKeyNQZYPMGBOAXWNH-UHFFFAOYSA-N
XLogP0.02
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62067059) is 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NC2COc3ccccc32)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is NQZYPMGBOAXWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-12(18)11(15-17(2)13(16)19)14-9-7-20-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3,(H,14,15).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 274.28 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-3-ylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62067059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).