3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C11H11N3 — CID 3060514

IUPAC3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1ccc(-c2nnc3n2CCC3)cc1
InChIInChI=1S/C11H11N3/c1-2-5-9(6-3-1)11-13-12-10-7-4-8-14(10)11/h1-3,5-6H,4,7-8H2
InChIKeyKXOTZBRROFDUAW-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.89
Rot. Bonds1

About 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 3060514) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID3060514
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1ccc(-c2nnc3n2CCC3)cc1
InChIInChI=1S/C11H11N3/c1-2-5-9(6-3-1)11-13-12-10-7-4-8-14(10)11/h1-3,5-6H,4,7-8H2
InChIKeyKXOTZBRROFDUAW-UHFFFAOYSA-N
XLogP1.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 3060514) is 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is c1ccc(-c2nnc3n2CCC3)cc1.
What is the InChIKey of 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is KXOTZBRROFDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-5-9(6-3-1)11-13-12-10-7-4-8-14(10)11/h1-3,5-6H,4,7-8H2.
What are the key properties of 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 185.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 3060514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).