2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one

C10H16N4O — CID 163506754

IUPAC2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESCCC1CC(=O)CC(c2cn(C)nn2)N1
InChIInChI=1S/C10H16N4O/c1-3-7-4-8(15)5-9(11-7)10-6-14(2)13-12-10/h6-7,9,11H,3-5H2,1-2H3
InChIKeyCZESONHKNYGOPH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.59
Rot. Bonds2

About 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one

2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one (PubChem CID 163506754) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one
PubChem CID163506754
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESCCC1CC(=O)CC(c2cn(C)nn2)N1
InChIInChI=1S/C10H16N4O/c1-3-7-4-8(15)5-9(11-7)10-6-14(2)13-12-10/h6-7,9,11H,3-5H2,1-2H3
InChIKeyCZESONHKNYGOPH-UHFFFAOYSA-N
XLogP0.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The IUPAC name of 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one (CID 163506754) is 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one.
What is the SMILES notation for 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The canonical SMILES for 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one is CCC1CC(=O)CC(c2cn(C)nn2)N1.
What is the InChIKey of 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The InChIKey is CZESONHKNYGOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-7-4-8(15)5-9(11-7)10-6-14(2)13-12-10/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-methyltriazol-4-yl)piperidin-4-one is sourced from PubChem (CID 163506754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).