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

C10H16N4O3 — CID 61409552

IUPAC6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-12-9(16)8(11-13(2)10(12)17)14-5-3-4-7(14)6-15/h7,15H,3-6H2,1-2H3
InChIKeyVEWLEKTXENRJTB-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.56
Rot. Bonds2

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

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61409552) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61409552
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCCC2CO)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-12-9(16)8(11-13(2)10(12)17)14-5-3-4-7(14)6-15/h7,15H,3-6H2,1-2H3
InChIKeyVEWLEKTXENRJTB-UHFFFAOYSA-N
XLogP-1.56
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)pyrrolidin-2-yl]acetic acid
CID 61371099
6-[2-(3-aminopropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63759493
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181
methyl 5-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazole-4-carboxylate
CID 102808206
6-[2-(1-aminoethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63256099
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
2-[1-(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)piperidin-4-yl]oxyacetic acid
CID 63905253
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 114779447
[(2R)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 41112085
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 22590117
6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 25498346
6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103896220

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61409552) is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCCC2CO)c(=O)n(C)c1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is VEWLEKTXENRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12-9(16)8(11-13(2)10(12)17)14-5-3-4-7(14)6-15/h7,15H,3-6H2,1-2H3.
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 240.26 g/mol, XLogP of -1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61409552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).