5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine

C16H19N7 — CID 136531649

IUPAC5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(c1ccccn1)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H19N7/c1-13(14-4-2-3-5-18-14)21-6-8-22(9-7-21)16-11-17-10-15-19-12-20-23(15)16/h2-5,10-13H,6-9H2,1H3
InChIKeyQHFZOIYSHUVKEC-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.40
Rot. Bonds3

About 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine

5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 136531649) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID136531649
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(c1ccccn1)N1CCN(c2cncc3ncnn23)CC1
InChIInChI=1S/C16H19N7/c1-13(14-4-2-3-5-18-14)21-6-8-22(9-7-21)16-11-17-10-15-19-12-20-23(15)16/h2-5,10-13H,6-9H2,1H3
InChIKeyQHFZOIYSHUVKEC-UHFFFAOYSA-N
XLogP1.40
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 136531649) is 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine is CC(c1ccccn1)N1CCN(c2cncc3ncnn23)CC1.
What is the InChIKey of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is QHFZOIYSHUVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-13(14-4-2-3-5-18-14)21-6-8-22(9-7-21)16-11-17-10-15-19-12-20-23(15)16/h2-5,10-13H,6-9H2,1H3.
What are the key properties of 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine?
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 309.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 136531649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).