2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol

C11H11N3O — CID 4176435

IUPAC2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol
SMILESOc1ccccc1-c1nnc2n1CCC2
InChIInChI=1S/C11H11N3O/c15-9-5-2-1-4-8(9)11-13-12-10-6-3-7-14(10)11/h1-2,4-5,15H,3,6-7H2
InChIKeyBGTAEGHWIRUSFS-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.60
Rot. Bonds1

About 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol

2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol (PubChem CID 4176435) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol
PubChem CID4176435
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol
SMILESOc1ccccc1-c1nnc2n1CCC2
InChIInChI=1S/C11H11N3O/c15-9-5-2-1-4-8(9)11-13-12-10-6-3-7-14(10)11/h1-2,4-5,15H,3,6-7H2
InChIKeyBGTAEGHWIRUSFS-UHFFFAOYSA-N
XLogP1.60
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol?
The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol (CID 4176435) is 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol.
What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol?
The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol is Oc1ccccc1-c1nnc2n1CCC2.
What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol?
The InChIKey is BGTAEGHWIRUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-9-5-2-1-4-8(9)11-13-12-10-6-3-7-14(10)11/h1-2,4-5,15H,3,6-7H2.
What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol?
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol has a molecular weight of 201.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenol is sourced from PubChem (CID 4176435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).