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

C9H14N4O3 — CID 103896152

IUPAC6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C9H14N4O3/c1-5-2-3-13(4-6(5)14)7-8(15)10-9(16)12-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12,15,16)
InChIKeySJIKPHSEQDTIOR-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.33
Rot. Bonds1

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

6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 103896152) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
PubChem CID103896152
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1O
InChIInChI=1S/C9H14N4O3/c1-5-2-3-13(4-6(5)14)7-8(15)10-9(16)12-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12,15,16)
InChIKeySJIKPHSEQDTIOR-UHFFFAOYSA-N
XLogP-1.33
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 ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-(4-hydroxypiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 60674923
6-[3-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60723279
6-(3-hydroxypiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 60723289
6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60965240
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62358303
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63239466
6-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65997176
6-[(3-hydroxycyclobutyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 66004840
6-(4-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 80702579
6-(3-Hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103896220
6-[(3S)-3-hydroxypiperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 107225532
6-(4-hydroxypentylamino)-2H-1,2,4-triazine-3,5-dione
CID 107269192

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione (CID 103896152) is 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione is CC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1O.
What is the InChIKey of 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SJIKPHSEQDTIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-2-3-13(4-6(5)14)7-8(15)10-9(16)12-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12,15,16).
What are the key properties of 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione?
6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylpiperidin-1-yl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103896152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).