1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole

C11H9N5 — CID 2764812

IUPAC1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole
SMILESc1ccc(-c2[nH]ncc2-n2cncn2)cc1
InChIInChI=1S/C11H9N5/c1-2-4-9(5-3-1)11-10(6-13-15-11)16-8-12-7-14-16/h1-8H,(H,13,15)
InChIKeyUANCTKSZNAKJRA-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.66
Rot. Bonds2

About 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole

1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole (PubChem CID 2764812) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole
PubChem CID2764812
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole
SMILESc1ccc(-c2[nH]ncc2-n2cncn2)cc1
InChIInChI=1S/C11H9N5/c1-2-4-9(5-3-1)11-10(6-13-15-11)16-8-12-7-14-16/h1-8H,(H,13,15)
InChIKeyUANCTKSZNAKJRA-UHFFFAOYSA-N
XLogP1.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole?
The IUPAC name of 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole (CID 2764812) is 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole is c1ccc(-c2[nH]ncc2-n2cncn2)cc1.
What is the InChIKey of 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole?
The InChIKey is UANCTKSZNAKJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c1-2-4-9(5-3-1)11-10(6-13-15-11)16-8-12-7-14-16/h1-8H,(H,13,15).
What are the key properties of 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole?
1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole has a molecular weight of 211.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-pyrazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 2764812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).