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

C10H18N4O3 — CID 66109246

IUPAC6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(CCO)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-7(4-5-15)6-11-8-9(16)13(2)10(17)14(3)12-8/h7,15H,4-6H2,1-3H3,(H,11,12)
InChIKeyNZQKDOLRRUZVMB-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.09
Rot. Bonds5

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

6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 66109246) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID66109246
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(CCO)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O3/c1-7(4-5-15)6-11-8-9(16)13(2)10(17)14(3)12-8/h7,15H,4-6H2,1-3H3,(H,11,12)
InChIKeyNZQKDOLRRUZVMB-UHFFFAOYSA-N
XLogP-1.09
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 66109246) is 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(CCO)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is NZQKDOLRRUZVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(4-5-15)6-11-8-9(16)13(2)10(17)14(3)12-8/h7,15H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 242.28 g/mol, XLogP of -1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 66109246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).