5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one

C10H16N4O — CID 67736472

IUPAC5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCC(C)n1ncnc1C1CCC(=O)NC1
InChIInChI=1S/C10H16N4O/c1-7(2)14-10(12-6-13-14)8-3-4-9(15)11-5-8/h6-8H,3-5H2,1-2H3,(H,11,15)
InChIKeyXWDZORUYJJKFPB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.85
Rot. Bonds2

About 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one

5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 67736472) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID67736472
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCC(C)n1ncnc1C1CCC(=O)NC1
InChIInChI=1S/C10H16N4O/c1-7(2)14-10(12-6-13-14)8-3-4-9(15)11-5-8/h6-8H,3-5H2,1-2H3,(H,11,15)
InChIKeyXWDZORUYJJKFPB-UHFFFAOYSA-N
XLogP0.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one (CID 67736472) is 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one is CC(C)n1ncnc1C1CCC(=O)NC1.
What is the InChIKey of 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is XWDZORUYJJKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)14-10(12-6-13-14)8-3-4-9(15)11-5-8/h6-8H,3-5H2,1-2H3,(H,11,15).
What are the key properties of 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one?
5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 67736472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).