5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol

C18H18F3N5O — CID 135429534

IUPAC5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCCN(CC)c1ccc(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c(O)c1
InChIInChI=1S/C18H18F3N5O/c1-3-26(4-2)11-5-6-12(15(27)9-11)16-23-17(25-24-16)13-10-22-8-7-14(13)18(19,20)21/h5-10,27H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyWZBXVGFSOMYELR-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.10
Rot. Bonds5

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

5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (PubChem CID 135429534) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
PubChem CID135429534
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol
SMILESCCN(CC)c1ccc(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c(O)c1
InChIInChI=1S/C18H18F3N5O/c1-3-26(4-2)11-5-6-12(15(27)9-11)16-23-17(25-24-16)13-10-22-8-7-14(13)18(19,20)21/h5-10,27H,3-4H2,1-2H3,(H,23,24,25)
InChIKeyWZBXVGFSOMYELR-UHFFFAOYSA-N
XLogP4.10
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol 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 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The IUPAC name of 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol (CID 135429534) is 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is CCN(CC)c1ccc(-c2nc(-c3cnccc3C(F)(F)F)n[nH]2)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
The InChIKey is WZBXVGFSOMYELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-3-26(4-2)11-5-6-12(15(27)9-11)16-23-17(25-24-16)13-10-22-8-7-14(13)18(19,20)21/h5-10,27H,3-4H2,1-2H3,(H,23,24,25).
What are the key properties of 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol?
5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol has a molecular weight of 377.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[3-[4-(trifluoromethyl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]phenol is sourced from PubChem (CID 135429534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).