5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine

C13H22N4O — CID 102954543

IUPAC5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
SMILESCCc1nnc(OC2CNCCC2C)nc1CC
InChIInChI=1S/C13H22N4O/c1-4-10-11(5-2)16-17-13(15-10)18-12-8-14-7-6-9(12)3/h9,12,14H,4-8H2,1-3H3
InChIKeyIEBZWOBQXCORDR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.37
Rot. Bonds4

About 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine

5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine (PubChem CID 102954543) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
PubChem CID102954543
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
SMILESCCc1nnc(OC2CNCCC2C)nc1CC
InChIInChI=1S/C13H22N4O/c1-4-10-11(5-2)16-17-13(15-10)18-12-8-14-7-6-9(12)3/h9,12,14H,4-8H2,1-3H3
InChIKeyIEBZWOBQXCORDR-UHFFFAOYSA-N
XLogP1.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
The IUPAC name of 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine (CID 102954543) is 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine.
What is the SMILES notation for 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
The canonical SMILES for 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine is CCc1nnc(OC2CNCCC2C)nc1CC.
What is the InChIKey of 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
The InChIKey is IEBZWOBQXCORDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-10-11(5-2)16-17-13(15-10)18-12-8-14-7-6-9(12)3/h9,12,14H,4-8H2,1-3H3.
What are the key properties of 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine has a molecular weight of 250.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine is sourced from PubChem (CID 102954543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).