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

C10H15N5O3 — CID 23945585

IUPAC6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C10H15N5O3/c16-7(15-4-2-1-3-5-15)6-11-8-9(17)12-10(18)14-13-8/h1-6H2,(H,11,13)(H2,12,14,17,18)
InChIKeyDLKVRPJQTMUBIX-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.12
Rot. Bonds3

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

6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 23945585) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID23945585
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESO=C(CNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C10H15N5O3/c16-7(15-4-2-1-3-5-15)6-11-8-9(17)12-10(18)14-13-8/h1-6H2,(H,11,13)(H2,12,14,17,18)
InChIKeyDLKVRPJQTMUBIX-UHFFFAOYSA-N
XLogP-1.12
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 23945585) is 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is O=C(CNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DLKVRPJQTMUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c16-7(15-4-2-1-3-5-15)6-11-8-9(17)12-10(18)14-13-8/h1-6H2,(H,11,13)(H2,12,14,17,18).
What are the key properties of 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 253.26 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-2-piperidin-1-ylethyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23945585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).