6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione

C10H17N5O2 — CID 55248033

IUPAC6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCC2CCCNC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O2/c16-9-8(14-15-10(17)13-9)12-5-3-7-2-1-4-11-6-7/h7,11H,1-6H2,(H,12,14)(H2,13,15,16,17)
InChIKeyCQDURMFNLVNPJW-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.74
Rot. Bonds4

About 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione

6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 55248033) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID55248033
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCCC2CCCNC2)c(=O)[nH]1
InChIInChI=1S/C10H17N5O2/c16-9-8(14-15-10(17)13-9)12-5-3-7-2-1-4-11-6-7/h7,11H,1-6H2,(H,12,14)(H2,13,15,16,17)
InChIKeyCQDURMFNLVNPJW-UHFFFAOYSA-N
XLogP-0.74
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione (CID 55248033) is 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCCC2CCCNC2)c(=O)[nH]1.
What is the InChIKey of 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CQDURMFNLVNPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c16-9-8(14-15-10(17)13-9)12-5-3-7-2-1-4-11-6-7/h7,11H,1-6H2,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-3-ylethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55248033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).