2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol

C18H18N4O — CID 3068029

IUPAC2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol
SMILESOc1ccccc1-c1nnc(N2CCCC2)n1-c1ccccc1
InChIInChI=1S/C18H18N4O/c23-16-11-5-4-10-15(16)17-19-20-18(21-12-6-7-13-21)22(17)14-8-2-1-3-9-14/h1-5,8-11,23H,6-7,12-13H2
InChIKeyURDUJAKSCVKBAD-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol

2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol (PubChem CID 3068029) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol
PubChem CID3068029
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol
SMILESOc1ccccc1-c1nnc(N2CCCC2)n1-c1ccccc1
InChIInChI=1S/C18H18N4O/c23-16-11-5-4-10-15(16)17-19-20-18(21-12-6-7-13-21)22(17)14-8-2-1-3-9-14/h1-5,8-11,23H,6-7,12-13H2
InChIKeyURDUJAKSCVKBAD-UHFFFAOYSA-N
XLogP3.24
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol (CID 3068029) is 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol is Oc1ccccc1-c1nnc(N2CCCC2)n1-c1ccccc1.
What is the InChIKey of 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol?
The InChIKey is URDUJAKSCVKBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-16-11-5-4-10-15(16)17-19-20-18(21-12-6-7-13-21)22(17)14-8-2-1-3-9-14/h1-5,8-11,23H,6-7,12-13H2.
What are the key properties of 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol?
2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol has a molecular weight of 306.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 3068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).