2-phenyltriazole

C8H7N3 — CID 5079630

IUPAC2-phenyltriazole
SMILESc1ccc(-n2nccn2)cc1
InChIInChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
InChIKeyJYBWAYHAOLQZJX-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.27
Rot. Bonds1

About 2-phenyltriazole

2-phenyltriazole (PubChem CID 5079630) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-phenyltriazole.

Molecular Properties

Compound Name2-phenyltriazole
PubChem CID5079630
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name2-phenyltriazole
SMILESc1ccc(-n2nccn2)cc1
InChIInChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H
InChIKeyJYBWAYHAOLQZJX-UHFFFAOYSA-N
XLogP1.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyltriazole?
The IUPAC name of 2-phenyltriazole (CID 5079630) is 2-phenyltriazole.
What is the SMILES notation for 2-phenyltriazole?
The canonical SMILES for 2-phenyltriazole is c1ccc(-n2nccn2)cc1.
What is the InChIKey of 2-phenyltriazole?
The InChIKey is JYBWAYHAOLQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-4-8(5-3-1)11-9-6-7-10-11/h1-7H.
What are the key properties of 2-phenyltriazole?
2-phenyltriazole has a molecular weight of 145.16 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyltriazole is sourced from PubChem (CID 5079630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).