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

C7H9N5 — CID 67152790

IUPAC1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
SMILESc1cc(CCn2cncn2)[nH]n1
InChIInChI=1S/C7H9N5/c1-3-9-11-7(1)2-4-12-6-8-5-10-12/h1,3,5-6H,2,4H2,(H,9,11)
InChIKeyBITJFTUSLILUFC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.24
Rot. Bonds3

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

1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole (PubChem CID 67152790) 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]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
PubChem CID67152790
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole
SMILESc1cc(CCn2cncn2)[nH]n1
InChIInChI=1S/C7H9N5/c1-3-9-11-7(1)2-4-12-6-8-5-10-12/h1,3,5-6H,2,4H2,(H,9,11)
InChIKeyBITJFTUSLILUFC-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]-1,2,4-triazole?
The IUPAC name of 1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole (CID 67152790) is 1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole is c1cc(CCn2cncn2)[nH]n1.
What is the InChIKey of 1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
The InChIKey is BITJFTUSLILUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-3-9-11-7(1)2-4-12-6-8-5-10-12/h1,3,5-6H,2,4H2,(H,9,11).
What are the key properties of 1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-triazole?
1-[2-(1H-pyrazol-5-yl)ethyl]-1,2,4-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]-1,2,4-triazole is sourced from PubChem (CID 67152790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).