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

C11H20N4O2 — CID 54954675

IUPAC2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione
SMILESCCC(Nc1nn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6-8(7(2)3)12-9-10(16)14(4)11(17)15(5)13-9/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyOTDOXXJSVLKINQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.33
Rot. Bonds4

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

2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione (PubChem CID 54954675) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione
PubChem CID54954675
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione
SMILESCCC(Nc1nn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6-8(7(2)3)12-9-10(16)14(4)11(17)15(5)13-9/h7-8H,6H2,1-5H3,(H,12,13)
InChIKeyOTDOXXJSVLKINQ-UHFFFAOYSA-N
XLogP0.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione (CID 54954675) is 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione is CCC(Nc1nn(C)c(=O)n(C)c1=O)C(C)C.
What is the InChIKey of 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is OTDOXXJSVLKINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6-8(7(2)3)12-9-10(16)14(4)11(17)15(5)13-9/h7-8H,6H2,1-5H3,(H,12,13).
What are the key properties of 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 240.31 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-methylpentan-3-ylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54954675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).