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

C9H14N4O3 — CID 102787041

IUPAC6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCN(c2n[nH]c(=O)[nH]c2=O)C1CO
InChIInChI=1S/C9H14N4O3/c1-5-2-3-13(6(5)4-14)7-8(15)10-9(16)12-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12,15,16)
InChIKeyYYBXMGKAMJDACP-UHFFFAOYSA-N
MW226.24 g/mol
LogP-1.33
Rot. Bonds2

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

6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 102787041) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID102787041
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCN(c2n[nH]c(=O)[nH]c2=O)C1CO
InChIInChI=1S/C9H14N4O3/c1-5-2-3-13(6(5)4-14)7-8(15)10-9(16)12-11-7/h5-6,14H,2-4H2,1H3,(H2,10,12,15,16)
InChIKeyYYBXMGKAMJDACP-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

Analyze 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 102787041) is 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is CC1CCN(c2n[nH]c(=O)[nH]c2=O)C1CO.
What is the InChIKey of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is YYBXMGKAMJDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-2-3-13(6(5)4-14)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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(hydroxymethyl)-3-methylpyrrolidin-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-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102787041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).