2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole

C11H9N3 — CID 151771374

IUPAC2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESc1ccc(-c2nc3cccn3[nH]2)cc1
InChIInChI=1S/C11H9N3/c1-2-5-9(6-3-1)11-12-10-7-4-8-14(10)13-11/h1-8H,(H,12,13)
InChIKeyRSQORAGULPIEIX-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.33
Rot. Bonds1

About 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole

2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 151771374) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID151771374
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole
SMILESc1ccc(-c2nc3cccn3[nH]2)cc1
InChIInChI=1S/C11H9N3/c1-2-5-9(6-3-1)11-12-10-7-4-8-14(10)13-11/h1-8H,(H,12,13)
InChIKeyRSQORAGULPIEIX-UHFFFAOYSA-N
XLogP2.33
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole (CID 151771374) is 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole is c1ccc(-c2nc3cccn3[nH]2)cc1.
What is the InChIKey of 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is RSQORAGULPIEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-9(6-3-1)11-12-10-7-4-8-14(10)13-11/h1-8H,(H,12,13).
What are the key properties of 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole?
2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 183.21 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 151771374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).