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

C8H12N4O3 — CID 62370630

IUPAC6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCC(CO)C2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c13-4-5-1-2-12(3-5)6-7(14)9-8(15)11-10-6/h5,13H,1-4H2,(H2,9,11,14,15)
InChIKeyYCVPJBOHRFCICJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.72
Rot. Bonds2

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

6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 62370630) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID62370630
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N2CCC(CO)C2)c(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c13-4-5-1-2-12(3-5)6-7(14)9-8(15)11-10-6/h5,13H,1-4H2,(H2,9,11,14,15)
InChIKeyYCVPJBOHRFCICJ-UHFFFAOYSA-N
XLogP-1.72
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 ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60965240
6-[3-(Hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62370448
6-(3-hydroxypyrrolidin-1-yl)-2H-1,2,4-triazine-3,5-dione
CID 62918327
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)pyrrolidine-3-carboxylic acid
CID 63031161
6-[3-(hydroxymethyl)azetidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 65992948
6-[(3-hydroxycyclobutyl)methyl-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 65997176
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 79479317
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[(3S)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 103646733
6-[(3R)-3-hydroxypyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 103646748
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103705310

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 62370630) is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N2CCC(CO)C2)c(=O)[nH]1.
What is the InChIKey of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is YCVPJBOHRFCICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c13-4-5-1-2-12(3-5)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-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 212.21 g/mol, XLogP of -1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62370630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).