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

C8H14N4O3 — CID 62947586

IUPAC6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC(C)(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-3-8(2,15)4-9-5-6(13)10-7(14)12-11-5/h15H,3-4H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyDOXLDZDTYFNQSW-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.97
Rot. Bonds4

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

6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 62947586) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID62947586
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCC(C)(O)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O3/c1-3-8(2,15)4-9-5-6(13)10-7(14)12-11-5/h15H,3-4H2,1-2H3,(H,9,11)(H2,10,12,13,14)
InChIKeyDOXLDZDTYFNQSW-UHFFFAOYSA-N
XLogP-0.97
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 62947586) is 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is CCC(C)(O)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DOXLDZDTYFNQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-3-8(2,15)4-9-5-6(13)10-7(14)12-11-5/h15H,3-4H2,1-2H3,(H,9,11)(H2,10,12,13,14).
What are the key properties of 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.22 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62947586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).