1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole

C7H9N5 — CID 2768598

IUPAC1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
SMILESCC(c1ccn[nH]1)n1cncn1
InChIInChI=1S/C7H9N5/c1-6(7-2-3-9-11-7)12-5-8-4-10-12/h2-6H,1H3,(H,9,11)
InChIKeyJUQYUICLZWLXOV-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.61
Rot. Bonds2

About 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole

1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole (PubChem CID 2768598) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
PubChem CID2768598
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
SMILESCC(c1ccn[nH]1)n1cncn1
InChIInChI=1S/C7H9N5/c1-6(7-2-3-9-11-7)12-5-8-4-10-12/h2-6H,1H3,(H,9,11)
InChIKeyJUQYUICLZWLXOV-UHFFFAOYSA-N
XLogP0.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole (CID 2768598) is 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole is CC(c1ccn[nH]1)n1cncn1.
What is the InChIKey of 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
The InChIKey is JUQYUICLZWLXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-6(7-2-3-9-11-7)12-5-8-4-10-12/h2-6H,1H3,(H,9,11).
What are the key properties of 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole has a molecular weight of 163.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 2768598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).