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

C8H12N4O — CID 67746861

IUPAC5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCn1ncnc1C1CCC(=O)NC1
InChIInChI=1S/C8H12N4O/c1-12-8(10-5-11-12)6-2-3-7(13)9-4-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyOWNSXPLDBSOEDL-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.19
Rot. Bonds1

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

5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 67746861) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID67746861
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCn1ncnc1C1CCC(=O)NC1
InChIInChI=1S/C8H12N4O/c1-12-8(10-5-11-12)6-2-3-7(13)9-4-6/h5-6H,2-4H2,1H3,(H,9,13)
InChIKeyOWNSXPLDBSOEDL-UHFFFAOYSA-N
XLogP-0.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one (CID 67746861) is 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one is Cn1ncnc1C1CCC(=O)NC1.
What is the InChIKey of 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is OWNSXPLDBSOEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-8(10-5-11-12)6-2-3-7(13)9-4-6/h5-6H,2-4H2,1H3,(H,9,13).
What are the key properties of 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one?
5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 67746861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).