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

C10H17N5O3 — CID 82692282

IUPAC6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESNCCOC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H17N5O3/c11-3-6-18-7-1-4-15(5-2-7)8-9(16)12-10(17)14-13-8/h7H,1-6,11H2,(H2,12,14,16,17)
InChIKeyKWTLVVDAFFSIHL-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.60
Rot. Bonds4

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

6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 82692282) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
PubChem CID82692282
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
SMILESNCCOC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C10H17N5O3/c11-3-6-18-7-1-4-15(5-2-7)8-9(16)12-10(17)14-13-8/h7H,1-6,11H2,(H2,12,14,16,17)
InChIKeyKWTLVVDAFFSIHL-UHFFFAOYSA-N
XLogP-1.60
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione (CID 82692282) is 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is NCCOC1CCN(c2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KWTLVVDAFFSIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c11-3-6-18-7-1-4-15(5-2-7)8-9(16)12-10(17)14-13-8/h7H,1-6,11H2,(H2,12,14,16,17).
What are the key properties of 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione?
6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.28 g/mol, XLogP of -1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-aminoethoxy)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 82692282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).