6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione

C9H14N6O3 — CID 60893671

IUPAC6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CNc1n[nH]c(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C9H14N6O3/c16-6(15-3-1-10-2-4-15)5-11-7-8(17)12-9(18)14-13-7/h10H,1-5H2,(H,11,13)(H2,12,14,17,18)
InChIKeyJHSLFYFVWJYLAO-UHFFFAOYSA-N
MW254.25 g/mol
LogP-2.70
Rot. Bonds3

About 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 60893671) has the molecular formula C9H14N6O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID60893671
Molecular FormulaC9H14N6O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CNc1n[nH]c(=O)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C9H14N6O3/c16-6(15-3-1-10-2-4-15)5-11-7-8(17)12-9(18)14-13-7/h10H,1-5H2,(H,11,13)(H2,12,14,17,18)
InChIKeyJHSLFYFVWJYLAO-UHFFFAOYSA-N
XLogP-2.70
TPSA122.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-2.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 60893671) is 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is O=C(CNc1n[nH]c(=O)[nH]c1=O)N1CCNCC1.
What is the InChIKey of 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is JHSLFYFVWJYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3/c16-6(15-3-1-10-2-4-15)5-11-7-8(17)12-9(18)14-13-7/h10H,1-5H2,(H,11,13)(H2,12,14,17,18).
What are the key properties of 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 254.25 g/mol, XLogP of -2.70, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-2-piperazin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60893671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).