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

C12H21N5O2 — CID 170775246

IUPAC4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCN1CCC[C@@H](Nc2n[nH]c(=O)n(CC)c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-3-16-7-5-6-9(8-16)13-10-11(18)17(4-2)12(19)15-14-10/h9H,3-8H2,1-2H3,(H,13,14)(H,15,19)/t9-/m1/s1
InChIKeyZXEDTXQYTUZFJQ-SECBINFHSA-N
MW267.33 g/mol
LogP-0.15
Rot. Bonds4

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

4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 170775246) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID170775246
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCCN1CCC[C@@H](Nc2n[nH]c(=O)n(CC)c2=O)C1
InChIInChI=1S/C12H21N5O2/c1-3-16-7-5-6-9(8-16)13-10-11(18)17(4-2)12(19)15-14-10/h9H,3-8H2,1-2H3,(H,13,14)(H,15,19)/t9-/m1/s1
InChIKeyZXEDTXQYTUZFJQ-SECBINFHSA-N
XLogP-0.15
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione (CID 170775246) is 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione is CCN1CCC[C@@H](Nc2n[nH]c(=O)n(CC)c2=O)C1.
What is the InChIKey of 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ZXEDTXQYTUZFJQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-16-7-5-6-9(8-16)13-10-11(18)17(4-2)12(19)15-14-10/h9H,3-8H2,1-2H3,(H,13,14)(H,15,19)/t9-/m1/s1.
What are the key properties of 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione?
4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 267.33 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[[(3R)-1-ethylpiperidin-3-yl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 170775246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).