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

C8H12N4O3 — CID 61409590

IUPAC6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCC2CO)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c13-4-5-2-1-3-12(5)6-7(14)9-8(15)11-10-6/h5,13H,1-4H2,(H2,9,11,14,15)
InChIKeyVERUYDGPQYLYIM-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.58
Rot. Bonds2

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

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61409590) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID61409590
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCCC2CO)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c13-4-5-2-1-3-12(5)6-7(14)9-8(15)11-10-6/h5,13H,1-4H2,(H2,9,11,14,15)
InChIKeyVERUYDGPQYLYIM-UHFFFAOYSA-N
XLogP-1.58
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 61409590) is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCCC2CO)c(=O)[nH]1.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VERUYDGPQYLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-4-5-2-1-3-12(5)6-7(14)9-8(15)11-10-6/h5,13H,1-4H2,(H2,9,11,14,15).
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.21 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61409590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).