6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione

C11H19N5O2 — CID 166125198

IUPAC6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCCN1CCC[C@@H](Nc2n[nH]c(=O)n(C)c2=O)C1
InChIInChI=1S/C11H19N5O2/c1-3-16-6-4-5-8(7-16)12-9-10(17)15(2)11(18)14-13-9/h8H,3-7H2,1-2H3,(H,12,13)(H,14,18)/t8-/m1/s1
InChIKeySGZHYEJUFJKDNN-MRVPVSSYSA-N
MW253.31 g/mol
LogP-0.64
Rot. Bonds3

About 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione

6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 166125198) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID166125198
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCCN1CCC[C@@H](Nc2n[nH]c(=O)n(C)c2=O)C1
InChIInChI=1S/C11H19N5O2/c1-3-16-6-4-5-8(7-16)12-9-10(17)15(2)11(18)14-13-9/h8H,3-7H2,1-2H3,(H,12,13)(H,14,18)/t8-/m1/s1
InChIKeySGZHYEJUFJKDNN-MRVPVSSYSA-N
XLogP-0.64
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione (CID 166125198) is 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione is CCN1CCC[C@@H](Nc2n[nH]c(=O)n(C)c2=O)C1.
What is the InChIKey of 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SGZHYEJUFJKDNN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16-6-4-5-8(7-16)12-9-10(17)15(2)11(18)14-13-9/h8H,3-7H2,1-2H3,(H,12,13)(H,14,18)/t8-/m1/s1.
What are the key properties of 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione?
6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-1-ethylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 166125198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).