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

C9H14N4O — CID 91113343

IUPAC5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCCn1ncnc1C1CCC(=O)NC1
InChIInChI=1S/C9H14N4O/c1-2-13-9(11-6-12-13)7-3-4-8(14)10-5-7/h6-7H,2-5H2,1H3,(H,10,14)
InChIKeyOCCPTRLYRQVSAF-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.29
Rot. Bonds2

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

5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one (PubChem CID 91113343) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one
PubChem CID91113343
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one
SMILESCCn1ncnc1C1CCC(=O)NC1
InChIInChI=1S/C9H14N4O/c1-2-13-9(11-6-12-13)7-3-4-8(14)10-5-7/h6-7H,2-5H2,1H3,(H,10,14)
InChIKeyOCCPTRLYRQVSAF-UHFFFAOYSA-N
XLogP0.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one?
The IUPAC name of 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one (CID 91113343) is 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one.
What is the SMILES notation for 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one?
The canonical SMILES for 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one is CCn1ncnc1C1CCC(=O)NC1.
What is the InChIKey of 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one?
The InChIKey is OCCPTRLYRQVSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-13-9(11-6-12-13)7-3-4-8(14)10-5-7/h6-7H,2-5H2,1H3,(H,10,14).
What are the key properties of 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one?
5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,2,4-triazol-3-yl)piperidin-2-one is sourced from PubChem (CID 91113343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).