6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C11H18N4O3 — CID 103896220

IUPAC6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC1CCN(c2nn(C)c(=O)n(C)c2=O)CC1O
InChIInChI=1S/C11H18N4O3/c1-7-4-5-15(6-8(7)16)9-10(17)13(2)11(18)14(3)12-9/h7-8,16H,4-6H2,1-3H3
InChIKeySFLRMQHNEGKNNP-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.31
Rot. Bonds1

About 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 103896220) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID103896220
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC1CCN(c2nn(C)c(=O)n(C)c2=O)CC1O
InChIInChI=1S/C11H18N4O3/c1-7-4-5-15(6-8(7)16)9-10(17)13(2)11(18)14(3)12-9/h7-8,16H,4-6H2,1-3H3
InChIKeySFLRMQHNEGKNNP-UHFFFAOYSA-N
XLogP-1.31
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
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-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 103896220) is 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC1CCN(c2nn(C)c(=O)n(C)c2=O)CC1O.
What is the InChIKey of 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is SFLRMQHNEGKNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-4-5-15(6-8(7)16)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-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(3-hydroxy-4-methylpiperidin-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, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103896220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).