6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C10H16N4O4 — CID 54893558

IUPAC6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2COCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4/c1-13-9(15)8(12-14(2)10(13)16)11-5-7-6-17-3-4-18-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyYFZFUUQWLCALCA-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.69
Rot. Bonds3

About 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 54893558) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID54893558
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(NCC2COCCO2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O4/c1-13-9(15)8(12-14(2)10(13)16)11-5-7-6-17-3-4-18-7/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyYFZFUUQWLCALCA-UHFFFAOYSA-N
XLogP-1.69
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 54893558) is 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(NCC2COCCO2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is YFZFUUQWLCALCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-13-9(15)8(12-14(2)10(13)16)11-5-7-6-17-3-4-18-7/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 256.26 g/mol, XLogP of -1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxan-2-ylmethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54893558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).