2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol

C14H19FN4O — CID 72846265

IUPAC2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc(C(c2cccc(F)c2)N(C)C)n(CCO)n1
InChIInChI=1S/C14H19FN4O/c1-10-16-14(19(17-10)7-8-20)13(18(2)3)11-5-4-6-12(15)9-11/h4-6,9,13,20H,7-8H2,1-3H3
InChIKeyMAUMVUHNETXOFM-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.37
Rot. Bonds5

About 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol

2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol (PubChem CID 72846265) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol
PubChem CID72846265
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol
SMILESCc1nc(C(c2cccc(F)c2)N(C)C)n(CCO)n1
InChIInChI=1S/C14H19FN4O/c1-10-16-14(19(17-10)7-8-20)13(18(2)3)11-5-4-6-12(15)9-11/h4-6,9,13,20H,7-8H2,1-3H3
InChIKeyMAUMVUHNETXOFM-UHFFFAOYSA-N
XLogP1.37
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-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-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol (CID 72846265) is 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol is Cc1nc(C(c2cccc(F)c2)N(C)C)n(CCO)n1.
What is the InChIKey of 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
The InChIKey is MAUMVUHNETXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-10-16-14(19(17-10)7-8-20)13(18(2)3)11-5-4-6-12(15)9-11/h4-6,9,13,20H,7-8H2,1-3H3.
What are the key properties of 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol?
2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol has a molecular weight of 278.33 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[dimethylamino-(3-fluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72846265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).