6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione

C10H17N5O2 — CID 55169926

IUPAC6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC(N)C1CCCCN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O2/c1-6(11)7-4-2-3-5-15(7)8-9(16)12-10(17)14-13-8/h6-7H,2-5,11H2,1H3,(H2,12,14,16,17)
InChIKeyOLWLSCDRAQHFHN-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.84
Rot. Bonds2

About 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione

6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 55169926) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID55169926
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESCC(N)C1CCCCN1c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O2/c1-6(11)7-4-2-3-5-15(7)8-9(16)12-10(17)14-13-8/h6-7H,2-5,11H2,1H3,(H2,12,14,16,17)
InChIKeyOLWLSCDRAQHFHN-UHFFFAOYSA-N
XLogP-0.84
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 55169926) is 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is CC(N)C1CCCCN1c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OLWLSCDRAQHFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(11)7-4-2-3-5-15(7)8-9(16)12-10(17)14-13-8/h6-7H,2-5,11H2,1H3,(H2,12,14,16,17).
What are the key properties of 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 239.28 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminoethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55169926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).