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

C11H18N4O3 — CID 112627870

IUPAC6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(O)C1CCN(c2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C11H18N4O3/c1-7(16)8-4-5-15(6-8)9-10(17)13(2)11(18)14(3)12-9/h7-8,16H,4-6H2,1-3H3
InChIKeyOOJHWXRTWCJHHO-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.31
Rot. Bonds2

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

6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 112627870) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID112627870
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(O)C1CCN(c2nn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C11H18N4O3/c1-7(16)8-4-5-15(6-8)9-10(17)13(2)11(18)14(3)12-9/h7-8,16H,4-6H2,1-3H3
InChIKeyOOJHWXRTWCJHHO-UHFFFAOYSA-N
XLogP-1.31
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 112627870) is 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(O)C1CCN(c2nn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is OOJHWXRTWCJHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(16)8-4-5-15(6-8)9-10(17)13(2)11(18)14(3)12-9/h7-8,16H,4-6H2,1-3H3.
What are the key properties of 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 112627870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).