2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine

C13H19N7 — CID 91831415

IUPAC2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine
SMILESCCc1n[nH]c(CN2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C13H19N7/c1-2-11-16-12(18-17-11)10-19-5-7-20(8-6-19)13-9-14-3-4-15-13/h3-4,9H,2,5-8,10H2,1H3,(H,16,17,18)
InChIKeyXUZFVANWAFFVOD-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.48
Rot. Bonds4

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

2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine (PubChem CID 91831415) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine
PubChem CID91831415
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine
SMILESCCc1n[nH]c(CN2CCN(c3cnccn3)CC2)n1
InChIInChI=1S/C13H19N7/c1-2-11-16-12(18-17-11)10-19-5-7-20(8-6-19)13-9-14-3-4-15-13/h3-4,9H,2,5-8,10H2,1H3,(H,16,17,18)
InChIKeyXUZFVANWAFFVOD-UHFFFAOYSA-N
XLogP0.48
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine (CID 91831415) is 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine is CCc1n[nH]c(CN2CCN(c3cnccn3)CC2)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine?
The InChIKey is XUZFVANWAFFVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7/c1-2-11-16-12(18-17-11)10-19-5-7-20(8-6-19)13-9-14-3-4-15-13/h3-4,9H,2,5-8,10H2,1H3,(H,16,17,18).
What are the key properties of 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine?
2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine has a molecular weight of 273.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 91831415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).