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

C11H18N4O — CID 102954773

IUPAC5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
SMILESCc1nnc(OC2CNCCC2C)nc1C
InChIInChI=1S/C11H18N4O/c1-7-4-5-12-6-10(7)16-11-13-8(2)9(3)14-15-11/h7,10,12H,4-6H2,1-3H3
InChIKeyVLWDLYPQKZTOOK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds2

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

5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine (PubChem CID 102954773) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
PubChem CID102954773
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine
SMILESCc1nnc(OC2CNCCC2C)nc1C
InChIInChI=1S/C11H18N4O/c1-7-4-5-12-6-10(7)16-11-13-8(2)9(3)14-15-11/h7,10,12H,4-6H2,1-3H3
InChIKeyVLWDLYPQKZTOOK-UHFFFAOYSA-N
XLogP0.87
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
The IUPAC name of 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine (CID 102954773) is 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine.
What is the SMILES notation for 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
The canonical SMILES for 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine is Cc1nnc(OC2CNCCC2C)nc1C.
What is the InChIKey of 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
The InChIKey is VLWDLYPQKZTOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-4-5-12-6-10(7)16-11-13-8(2)9(3)14-15-11/h7,10,12H,4-6H2,1-3H3.
What are the key properties of 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine?
5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine has a molecular weight of 222.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-methylpiperidin-3-yl)oxy-1,2,4-triazine is sourced from PubChem (CID 102954773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).