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

C15H19N5 — CID 28809040

IUPAC1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine
SMILESCn1c(/C=C/c2ccccc2)nnc1N1CCNCC1
InChIInChI=1S/C15H19N5/c1-19-14(8-7-13-5-3-2-4-6-13)17-18-15(19)20-11-9-16-10-12-20/h2-8,16H,9-12H2,1H3/b8-7+
InChIKeyGMGRIEXYKBGLTQ-BQYQJAHWSA-N
MW269.35 g/mol
LogP1.40
Rot. Bonds3

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

1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine (PubChem CID 28809040) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine
PubChem CID28809040
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine
SMILESCn1c(/C=C/c2ccccc2)nnc1N1CCNCC1
InChIInChI=1S/C15H19N5/c1-19-14(8-7-13-5-3-2-4-6-13)17-18-15(19)20-11-9-16-10-12-20/h2-8,16H,9-12H2,1H3/b8-7+
InChIKeyGMGRIEXYKBGLTQ-BQYQJAHWSA-N
XLogP1.40
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine (CID 28809040) is 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine is Cn1c(/C=C/c2ccccc2)nnc1N1CCNCC1.
What is the InChIKey of 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine?
The InChIKey is GMGRIEXYKBGLTQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H19N5/c1-19-14(8-7-13-5-3-2-4-6-13)17-18-15(19)20-11-9-16-10-12-20/h2-8,16H,9-12H2,1H3/b8-7+.
What are the key properties of 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine?
1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine has a molecular weight of 269.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 28809040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).