6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H20N4O3 — CID 62060864

IUPAC6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(O)(CC)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-5-11(18,6-2)7-12-8-9(16)14(3)10(17)15(4)13-8/h18H,5-7H2,1-4H3,(H,12,13)
InChIKeyJRVVMKIGLIRYAT-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.56
Rot. Bonds5

About 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62060864) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62060864
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(O)(CC)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H20N4O3/c1-5-11(18,6-2)7-12-8-9(16)14(3)10(17)15(4)13-8/h18H,5-7H2,1-4H3,(H,12,13)
InChIKeyJRVVMKIGLIRYAT-UHFFFAOYSA-N
XLogP-0.56
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62060864) is 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(O)(CC)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JRVVMKIGLIRYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-5-11(18,6-2)7-12-8-9(16)14(3)10(17)15(4)13-8/h18H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 256.31 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-2-hydroxybutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62060864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).