1-[2-(1H-pyrazol-5-yl)ethyl]triazole

C7H9N5 — CID 173150615

IUPAC1-[2-(1H-pyrazol-5-yl)ethyl]triazole
SMILESc1cn(CCc2ccn[nH]2)nn1
InChIInChI=1S/C7H9N5/c1-3-8-10-7(1)2-5-12-6-4-9-11-12/h1,3-4,6H,2,5H2,(H,8,10)
InChIKeyGSHDUSBGXGNRLW-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.24
Rot. Bonds3

About 1-[2-(1H-pyrazol-5-yl)ethyl]triazole

1-[2-(1H-pyrazol-5-yl)ethyl]triazole (PubChem CID 173150615) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-[2-(1H-pyrazol-5-yl)ethyl]triazole.

Molecular Properties

Compound Name1-[2-(1H-pyrazol-5-yl)ethyl]triazole
PubChem CID173150615
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-[2-(1H-pyrazol-5-yl)ethyl]triazole
SMILESc1cn(CCc2ccn[nH]2)nn1
InChIInChI=1S/C7H9N5/c1-3-8-10-7(1)2-5-12-6-4-9-11-12/h1,3-4,6H,2,5H2,(H,8,10)
InChIKeyGSHDUSBGXGNRLW-UHFFFAOYSA-N
XLogP0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-pyrazol-5-yl)ethyl]triazole?
The IUPAC name of 1-[2-(1H-pyrazol-5-yl)ethyl]triazole (CID 173150615) is 1-[2-(1H-pyrazol-5-yl)ethyl]triazole.
What is the SMILES notation for 1-[2-(1H-pyrazol-5-yl)ethyl]triazole?
The canonical SMILES for 1-[2-(1H-pyrazol-5-yl)ethyl]triazole is c1cn(CCc2ccn[nH]2)nn1.
What is the InChIKey of 1-[2-(1H-pyrazol-5-yl)ethyl]triazole?
The InChIKey is GSHDUSBGXGNRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-3-8-10-7(1)2-5-12-6-4-9-11-12/h1,3-4,6H,2,5H2,(H,8,10).
What are the key properties of 1-[2-(1H-pyrazol-5-yl)ethyl]triazole?
1-[2-(1H-pyrazol-5-yl)ethyl]triazole has a molecular weight of 163.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-pyrazol-5-yl)ethyl]triazole is sourced from PubChem (CID 173150615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).