3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one

C9H15N5O — CID 136523920

IUPAC3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
SMILESCC1C(=O)NCCN1CCn1cncn1
InChIInChI=1S/C9H15N5O/c1-8-9(15)11-2-3-13(8)4-5-14-7-10-6-12-14/h6-8H,2-5H2,1H3,(H,11,15)
InChIKeyVOKYFPDIGALVHE-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.90
Rot. Bonds3

About 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one

3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one (PubChem CID 136523920) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
PubChem CID136523920
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one
SMILESCC1C(=O)NCCN1CCn1cncn1
InChIInChI=1S/C9H15N5O/c1-8-9(15)11-2-3-13(8)4-5-14-7-10-6-12-14/h6-8H,2-5H2,1H3,(H,11,15)
InChIKeyVOKYFPDIGALVHE-UHFFFAOYSA-N
XLogP-0.90
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one (CID 136523920) is 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one is CC1C(=O)NCCN1CCn1cncn1.
What is the InChIKey of 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
The InChIKey is VOKYFPDIGALVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-8-9(15)11-2-3-13(8)4-5-14-7-10-6-12-14/h6-8H,2-5H2,1H3,(H,11,15).
What are the key properties of 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one?
3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 136523920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).