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

C10H16N4O3 — CID 43646875

IUPAC2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-9(15)8(12-14(2)10(13)16)11-7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyUUDBKFLJOMWPHL-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.93
Rot. Bonds2

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

2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione (PubChem CID 43646875) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione
PubChem CID43646875
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione
SMILESCn1nc(NC2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-13-9(15)8(12-14(2)10(13)16)11-7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyUUDBKFLJOMWPHL-UHFFFAOYSA-N
XLogP-0.93
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione (CID 43646875) is 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione is Cn1nc(NC2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is UUDBKFLJOMWPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-9(15)8(12-14(2)10(13)16)11-7-3-5-17-6-4-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(oxan-4-ylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).