amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol

C10H10F2N4O — CID 123186808

IUPACamino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol
SMILESNC(O)c1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H10F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5,10,17H,4,13H2
InChIKeyHFVVADISNYDXTF-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.55
Rot. Bonds3

About amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol

amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 123186808) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Nameamino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID123186808
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Nameamino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol
SMILESNC(O)c1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H10F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5,10,17H,4,13H2
InChIKeyHFVVADISNYDXTF-UHFFFAOYSA-N
XLogP0.55
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
(1-(2-methylphenyl)-1H-1,2,3-triazol-4-yl)methanol
CID 53474093
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
{1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828295
{1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56828296
1-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006
[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474092
4-[4-(Hydroxymethyl)triazol-1-yl]benzonitrile
CID 53474185
3-[4-(Hydroxymethyl)triazol-1-yl]benzonitrile
CID 53474186

Frequently Asked Questions

What is the IUPAC name of amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol (CID 123186808) is amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol is NC(O)c1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is HFVVADISNYDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-7-2-1-3-8(12)6(7)4-16-5-9(10(13)17)14-15-16/h1-3,5,10,17H,4,13H2.
What are the key properties of amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol?
amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 240.21 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 123186808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).