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

C9H14N4O — CID 175903666

IUPAC2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESCC1CC(=O)CC(c2cn(C)nn2)N1
InChIInChI=1S/C9H14N4O/c1-6-3-7(14)4-8(10-6)9-5-13(2)12-11-9/h5-6,8,10H,3-4H2,1-2H3
InChIKeyIDEAYDDXFVRTIF-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.20
Rot. Bonds1

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

2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one (PubChem CID 175903666) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
PubChem CID175903666
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
SMILESCC1CC(=O)CC(c2cn(C)nn2)N1
InChIInChI=1S/C9H14N4O/c1-6-3-7(14)4-8(10-6)9-5-13(2)12-11-9/h5-6,8,10H,3-4H2,1-2H3
InChIKeyIDEAYDDXFVRTIF-UHFFFAOYSA-N
XLogP0.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The IUPAC name of 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one (CID 175903666) is 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one.
What is the SMILES notation for 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The canonical SMILES for 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one is CC1CC(=O)CC(c2cn(C)nn2)N1.
What is the InChIKey of 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
The InChIKey is IDEAYDDXFVRTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-7(14)4-8(10-6)9-5-13(2)12-11-9/h5-6,8,10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one?
2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one has a molecular weight of 194.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one is sourced from PubChem (CID 175903666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).