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

C10H16N4O3 — CID 62370448

IUPAC6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCC(CO)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-12-9(16)8(11-13(2)10(12)17)14-4-3-7(5-14)6-15/h7,15H,3-6H2,1-2H3
InChIKeyJUVBJDYNQXNCOS-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.70
Rot. Bonds2

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

6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 62370448) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID62370448
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2CCC(CO)C2)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N4O3/c1-12-9(16)8(11-13(2)10(12)17)14-4-3-7(5-14)6-15/h7,15H,3-6H2,1-2H3
InChIKeyJUVBJDYNQXNCOS-UHFFFAOYSA-N
XLogP-1.70
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 ≤ 5-1.70
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)-4-methylpyrrolidine-3-carboxylic acid
CID 55228422
6-[4-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60964628
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 62370630
6-(3-Hydroxypyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62918326
6-[3-(Hydroxymethyl)azetidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 65991201
6-[(3-Hydroxycyclobutyl)methyl-methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 65994993
6-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66051442
6-[(4-Hydroxy-2-methylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 66109246
6-[2-(Hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 102787494
6-[(4-Hydroxy-2,2-dimethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103705241
6-(3-Hydroxy-3-methylpyrrolidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103725157
6-[3-(1-Hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 112627870

Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 62370448) is 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2CCC(CO)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is JUVBJDYNQXNCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12-9(16)8(11-13(2)10(12)17)14-4-3-7(5-14)6-15/h7,15H,3-6H2,1-2H3.
What are the key properties of 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-(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 -1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 62370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).