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

C8H14N4O3 — CID 66106889

IUPAC6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CCO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-5(2-3-13)4-9-6-7(14)10-8(15)12-11-6/h5,13H,2-4H2,1H3,(H,9,11)(H2,10,12,14,15)
InChIKeyIMHCIYVOGHFOEV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.11
Rot. Bonds5

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

6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 66106889) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID66106889
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(CCO)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-5(2-3-13)4-9-6-7(14)10-8(15)12-11-6/h5,13H,2-4H2,1H3,(H,9,11)(H2,10,12,14,15)
InChIKeyIMHCIYVOGHFOEV-UHFFFAOYSA-N
XLogP-1.11
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 66106889) is 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(CCO)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is IMHCIYVOGHFOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-5(2-3-13)4-9-6-7(14)10-8(15)12-11-6/h5,13H,2-4H2,1H3,(H,9,11)(H2,10,12,14,15).
What are the key properties of 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -1.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66106889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).