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

C18H18N4O2 — CID 3068028

IUPAC2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol
SMILESOc1ccccc1-c1nnc(N2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-16-9-5-4-8-15(16)17-19-20-18(21-10-12-24-13-11-21)22(17)14-6-2-1-3-7-14/h1-9,23H,10-13H2
InChIKeyPMRPVWPJPPMJPQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.48
Rot. Bonds3

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

2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol (PubChem CID 3068028) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol
PubChem CID3068028
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol
SMILESOc1ccccc1-c1nnc(N2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C18H18N4O2/c23-16-9-5-4-8-15(16)17-19-20-18(21-10-12-24-13-11-21)22(17)14-6-2-1-3-7-14/h1-9,23H,10-13H2
InChIKeyPMRPVWPJPPMJPQ-UHFFFAOYSA-N
XLogP2.48
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol (CID 3068028) is 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol is Oc1ccccc1-c1nnc(N2CCOCC2)n1-c1ccccc1.
What is the InChIKey of 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol?
The InChIKey is PMRPVWPJPPMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-16-9-5-4-8-15(16)17-19-20-18(21-10-12-24-13-11-21)22(17)14-6-2-1-3-7-14/h1-9,23H,10-13H2.
What are the key properties of 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol?
2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol has a molecular weight of 322.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 3068028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).