1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine

C10H19N5 — CID 54592592

IUPAC1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCCc1nnc(CN2CCNCC2)n1C
InChIInChI=1S/C10H19N5/c1-3-9-12-13-10(14(9)2)8-15-6-4-11-5-7-15/h11H,3-8H2,1-2H3
InChIKeyOSYUNOXLMUDBNA-UHFFFAOYSA-N
MW209.30 g/mol
LogP-0.22
Rot. Bonds3

About 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine

1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 54592592) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID54592592
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCCc1nnc(CN2CCNCC2)n1C
InChIInChI=1S/C10H19N5/c1-3-9-12-13-10(14(9)2)8-15-6-4-11-5-7-15/h11H,3-8H2,1-2H3
InChIKeyOSYUNOXLMUDBNA-UHFFFAOYSA-N
XLogP-0.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine (CID 54592592) is 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine is CCc1nnc(CN2CCNCC2)n1C.
What is the InChIKey of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is OSYUNOXLMUDBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-3-9-12-13-10(14(9)2)8-15-6-4-11-5-7-15/h11H,3-8H2,1-2H3.
What are the key properties of 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 209.30 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 54592592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).