2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol

C18H20N4O — CID 3068015

IUPAC2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCCN(CC)c1nnc(-c2ccccc2O)n1-c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-21(4-2)18-20-19-17(15-12-8-9-13-16(15)23)22(18)14-10-6-5-7-11-14/h5-13,23H,3-4H2,1-2H3
InChIKeyGLHMFFIHPQMXNL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.49
Rot. Bonds5

About 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol

2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol (PubChem CID 3068015) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol
PubChem CID3068015
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol
SMILESCCN(CC)c1nnc(-c2ccccc2O)n1-c1ccccc1
InChIInChI=1S/C18H20N4O/c1-3-21(4-2)18-20-19-17(15-12-8-9-13-16(15)23)22(18)14-10-6-5-7-11-14/h5-13,23H,3-4H2,1-2H3
InChIKeyGLHMFFIHPQMXNL-UHFFFAOYSA-N
XLogP3.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol (CID 3068015) is 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol is CCN(CC)c1nnc(-c2ccccc2O)n1-c1ccccc1.
What is the InChIKey of 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol?
The InChIKey is GLHMFFIHPQMXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-21(4-2)18-20-19-17(15-12-8-9-13-16(15)23)22(18)14-10-6-5-7-11-14/h5-13,23H,3-4H2,1-2H3.
What are the key properties of 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol?
2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol has a molecular weight of 308.38 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)-4-phenyl-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 3068015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).