2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol

C15H13F3N6O — CID 135371510

IUPAC2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2cnccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)10-1-3-11(4-2-10)20-13-5-6-19-9-12(13)14-21-23-24(22-14)7-8-25/h1-6,9,25H,7-8H2,(H,19,20)
InChIKeyHXZNFOZFOAERGJ-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.49
Rot. Bonds5

About 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol

2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol (PubChem CID 135371510) has the molecular formula C15H13F3N6O and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
PubChem CID135371510
Molecular FormulaC15H13F3N6O
Molecular Weight350.30 g/mol
Exact Mass350.11
IUPAC Name2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol
SMILESOCCn1nnc(-c2cnccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C15H13F3N6O/c16-15(17,18)10-1-3-11(4-2-10)20-13-5-6-19-9-12(13)14-21-23-24(22-14)7-8-25/h1-6,9,25H,7-8H2,(H,19,20)
InChIKeyHXZNFOZFOAERGJ-UHFFFAOYSA-N
XLogP2.49
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol 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 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
The IUPAC name of 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol (CID 135371510) is 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
The canonical SMILES for 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol is OCCn1nnc(-c2cnccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
The InChIKey is HXZNFOZFOAERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O/c16-15(17,18)10-1-3-11(4-2-10)20-13-5-6-19-9-12(13)14-21-23-24(22-14)7-8-25/h1-6,9,25H,7-8H2,(H,19,20).
What are the key properties of 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol?
2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol has a molecular weight of 350.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-[4-(trifluoromethyl)anilino]-3-pyridinyl]tetrazol-2-yl]ethanol is sourced from PubChem (CID 135371510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).