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

C12H22N4O3 — CID 66178218

IUPAC6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(C)(O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-8(2)6-12(3,19)7-13-9-10(17)15(4)11(18)16(5)14-9/h8,19H,6-7H2,1-5H3,(H,13,14)
InChIKeyBENUENSRGLLNJH-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.31
Rot. Bonds5

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

6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 66178218) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID66178218
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(C)(O)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H22N4O3/c1-8(2)6-12(3,19)7-13-9-10(17)15(4)11(18)16(5)14-9/h8,19H,6-7H2,1-5H3,(H,13,14)
InChIKeyBENUENSRGLLNJH-UHFFFAOYSA-N
XLogP-0.31
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 66178218) is 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(C)CC(C)(O)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is BENUENSRGLLNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)6-12(3,19)7-13-9-10(17)15(4)11(18)16(5)14-9/h8,19H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2,4-dimethylpentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).