2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol

C12H14F2N4O — CID 66270581

IUPAC2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H14F2N4O/c13-11-2-1-9(5-12(11)14)6-15-7-10-8-18(3-4-19)17-16-10/h1-2,5,8,15,19H,3-4,6-7H2
InChIKeyAMMMPUOJXCOYTF-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.84
Rot. Bonds6

About 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol

2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66270581) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
PubChem CID66270581
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C12H14F2N4O/c13-11-2-1-9(5-12(11)14)6-15-7-10-8-18(3-4-19)17-16-10/h1-2,5,8,15,19H,3-4,6-7H2
InChIKeyAMMMPUOJXCOYTF-UHFFFAOYSA-N
XLogP0.84
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]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

Related Compounds

2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269596
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
3-[4-[[(4-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269103
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485
3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]triazol-1-yl]propan-1-ol
CID 66268156
2-[4-[(4-aminobutylamino)methyl]triazol-1-yl]ethanol
CID 66269810
2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66270955
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[(4-bromo-2,6-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66270971
2-[4-[[1-(2,5-difluorophenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66270552
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol (CID 66270581) is 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNCc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is AMMMPUOJXCOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c13-11-2-1-9(5-12(11)14)6-15-7-10-8-18(3-4-19)17-16-10/h1-2,5,8,15,19H,3-4,6-7H2.
What are the key properties of 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 268.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3,4-difluorophenyl)methylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66270581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).