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

C11H19N5O2 — CID 60965516

IUPAC6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCN(CCNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H19N5O2/c1-8-2-5-16(6-3-8)7-4-12-9-10(17)13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,14)(H2,13,15,17,18)
InChIKeyXGITXBCQUWUJNQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.40
Rot. Bonds4

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

6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 60965516) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID60965516
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC1CCN(CCNc2n[nH]c(=O)[nH]c2=O)CC1
InChIInChI=1S/C11H19N5O2/c1-8-2-5-16(6-3-8)7-4-12-9-10(17)13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,14)(H2,13,15,17,18)
InChIKeyXGITXBCQUWUJNQ-UHFFFAOYSA-N
XLogP-0.40
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 60965516) is 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione is CC1CCN(CCNc2n[nH]c(=O)[nH]c2=O)CC1.
What is the InChIKey of 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is XGITXBCQUWUJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-2-5-16(6-3-8)7-4-12-9-10(17)13-11(18)15-14-9/h8H,2-7H2,1H3,(H,12,14)(H2,13,15,17,18).
What are the key properties of 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methylpiperidin-1-yl)ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60965516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).