2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile

C11H9FN4O — CID 82206438

IUPAC2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
SMILESN#CCn1nnc(CO)c1-c1ccccc1F
InChIInChI=1S/C11H9FN4O/c12-9-4-2-1-3-8(9)11-10(7-17)14-15-16(11)6-5-13/h1-4,17H,6-7H2
InChIKeyVMYAHKLUYDQXDV-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.10
Rot. Bonds3

About 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile

2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile (PubChem CID 82206438) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
PubChem CID82206438
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
SMILESN#CCn1nnc(CO)c1-c1ccccc1F
InChIInChI=1S/C11H9FN4O/c12-9-4-2-1-3-8(9)11-10(7-17)14-15-16(11)6-5-13/h1-4,17H,6-7H2
InChIKeyVMYAHKLUYDQXDV-UHFFFAOYSA-N
XLogP1.10
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile 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

[1-[(3-chlorophenyl)methyl]-5-(2-fluorophenyl)triazol-4-yl]methanol
CID 94943384
2-[5-(3-bromophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206450
2-[5-benzhydryl-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206474
[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220821
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210868
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
5-(2-chlorophenyl)-1-(cyanomethyl)triazole-4-carbonitrile
CID 82206523
2-(benzotriazol-1-yl)acetonitrile
CID 139073743
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
5-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82203530
3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
CID 82210264

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile (CID 82206438) is 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile is N#CCn1nnc(CO)c1-c1ccccc1F.
What is the InChIKey of 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile?
The InChIKey is VMYAHKLUYDQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-9-4-2-1-3-8(9)11-10(7-17)14-15-16(11)6-5-13/h1-4,17H,6-7H2.
What are the key properties of 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile?
2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile has a molecular weight of 232.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile is sourced from PubChem (CID 82206438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).