6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 60965240

IUPAC6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCC(CO)CC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-5-6-1-3-13(4-2-6)7-8(15)10-9(16)12-11-7/h6,14H,1-5H2,(H2,10,12,15,16)
InChIKeyDLHJBSBCRFLLIQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.33
Rot. Bonds2

About 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione

6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 60965240) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID60965240
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCC(CO)CC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-5-6-1-3-13(4-2-6)7-8(15)10-9(16)12-11-7/h6,14H,1-5H2,(H2,10,12,15,16)
InChIKeyDLHJBSBCRFLLIQ-UHFFFAOYSA-N
XLogP-1.33
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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

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Related Compounds

1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)piperidine-4-carboxylic acid
CID 43431809
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]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964628
6-[4-(aminomethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 61787910
6-(piperidin-4-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 61793890
6-(oxan-4-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 62352098
6-[3-(2-hydroxyethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62358303
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62370630
6-[4-(2-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 64025217
6-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65997176

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 60965240) is 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCC(CO)CC2)c(=O)[nH]1.
What is the InChIKey of 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DLHJBSBCRFLLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-5-6-1-3-13(4-2-6)7-8(15)10-9(16)12-11-7/h6,14H,1-5H2,(H2,10,12,15,16).
What are the key properties of 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60965240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).