[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol

C8H9F2N5O — CID 62401470

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C8H9F2N5O/c9-8(10)15-2-1-11-7(15)4-14-3-6(5-16)12-13-14/h1-3,8,16H,4-5H2
InChIKeyBHKZJGZGXVGXBY-UHFFFAOYSA-N
MW229.19 g/mol
LogP0.41
Rot. Bonds4

About [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol (PubChem CID 62401470) has the molecular formula C8H9F2N5O and a molecular weight of 229.19 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol
PubChem CID62401470
Molecular FormulaC8H9F2N5O
Molecular Weight229.19 g/mol
Exact Mass229.08
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2nccn2C(F)F)nn1
InChIInChI=1S/C8H9F2N5O/c9-8(10)15-2-1-11-7(15)4-14-3-6(5-16)12-13-14/h1-3,8,16H,4-5H2
InChIKeyBHKZJGZGXVGXBY-UHFFFAOYSA-N
XLogP0.41
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol (CID 62401470) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol is OCc1cn(Cc2nccn2C(F)F)nn1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol?
The InChIKey is BHKZJGZGXVGXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N5O/c9-8(10)15-2-1-11-7(15)4-14-3-6(5-16)12-13-14/h1-3,8,16H,4-5H2.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol has a molecular weight of 229.19 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62401470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).