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

C11H18N4O3 — CID 60658547

IUPAC6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-13-10(17)9(12-14(2)11(13)18)15-6-4-3-5-8(15)7-16/h8,16H,3-7H2,1-2H3
InChIKeyAZIHYCUGXKZARU-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.17
Rot. Bonds2

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

6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 60658547) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID60658547
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C11H18N4O3/c1-13-10(17)9(12-14(2)11(13)18)15-6-4-3-5-8(15)7-16/h8,16H,3-7H2,1-2H3
InChIKeyAZIHYCUGXKZARU-UHFFFAOYSA-N
XLogP-1.17
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,4-Dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidine-2-carboxylic acid
CID 43646849
6-[Cyclopentyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 54998769
6-[2-Hydroxyethyl(pentan-3-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 54998909
6-(3-Hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55237026
6-(4-Hydroxypiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658708
6-(3-Hydroxypiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658800
6-[4-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964628
6-[2-(Hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61409552
6-[Cyclohexyl(2-hydroxyethyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61583708
6-[3-(2-Hydroxyethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62358302
6-[(2-Hydroxycyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62359067
6-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62468132

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 60658547) is 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCCCC2CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is AZIHYCUGXKZARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13-10(17)9(12-14(2)11(13)18)15-6-4-3-5-8(15)7-16/h8,16H,3-7H2,1-2H3.
What are the key properties of 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60658547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).