6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 80702579

IUPAC6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESCC1(O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O3/c1-9(16)2-4-13(5-3-9)6-7(14)10-8(15)12-11-6/h16H,2-5H2,1H3,(H2,10,12,14,15)
InChIKeyFTBUWBDYOSFNJI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.19
Rot. Bonds1

About 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione

6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 80702579) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID80702579
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESCC1(O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O3/c1-9(16)2-4-13(5-3-9)6-7(14)10-8(15)12-11-6/h16H,2-5H2,1H3,(H2,10,12,14,15)
InChIKeyFTBUWBDYOSFNJI-UHFFFAOYSA-N
XLogP-1.19
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione (CID 80702579) is 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione is CC1(O)CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is FTBUWBDYOSFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-9(16)2-4-13(5-3-9)6-7(14)10-8(15)12-11-6/h16H,2-5H2,1H3,(H2,10,12,14,15).
What are the key properties of 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 80702579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).