3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C18H17N3O — CID 2373259

IUPAC3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1ccc(-c2ccccc2OCc2nnc3n2CCC3)cc1
InChIInChI=1S/C18H17N3O/c1-2-7-14(8-3-1)15-9-4-5-10-16(15)22-13-18-20-19-17-11-6-12-21(17)18/h1-5,7-10H,6,11-13H2
InChIKeyBJXITFLDIACERQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.47
Rot. Bonds4

About 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 2373259) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID2373259
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1ccc(-c2ccccc2OCc2nnc3n2CCC3)cc1
InChIInChI=1S/C18H17N3O/c1-2-7-14(8-3-1)15-9-4-5-10-16(15)22-13-18-20-19-17-11-6-12-21(17)18/h1-5,7-10H,6,11-13H2
InChIKeyBJXITFLDIACERQ-UHFFFAOYSA-N
XLogP3.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 2373259) is 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is c1ccc(-c2ccccc2OCc2nnc3n2CCC3)cc1.
What is the InChIKey of 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is BJXITFLDIACERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-7-14(8-3-1)15-9-4-5-10-16(15)22-13-18-20-19-17-11-6-12-21(17)18/h1-5,7-10H,6,11-13H2.
What are the key properties of 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 291.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylphenoxy)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 2373259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).