4-(2H-triazol-4-yloxymethyl)benzonitrile

C10H8N4O — CID 155653521

IUPAC4-(2H-triazol-4-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H8N4O/c11-5-8-1-3-9(4-2-8)7-15-10-6-12-14-13-10/h1-4,6H,7H2,(H,12,13,14)
InChIKeyGVXICPHLDRQMIY-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.26
Rot. Bonds3

About 4-(2H-triazol-4-yloxymethyl)benzonitrile

4-(2H-triazol-4-yloxymethyl)benzonitrile (PubChem CID 155653521) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-(2H-triazol-4-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(2H-triazol-4-yloxymethyl)benzonitrile
PubChem CID155653521
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-(2H-triazol-4-yloxymethyl)benzonitrile
SMILESN#Cc1ccc(COc2cn[nH]n2)cc1
InChIInChI=1S/C10H8N4O/c11-5-8-1-3-9(4-2-8)7-15-10-6-12-14-13-10/h1-4,6H,7H2,(H,12,13,14)
InChIKeyGVXICPHLDRQMIY-UHFFFAOYSA-N
XLogP1.26
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-cyanophenoxy)methyl]benzonitrile
CID 7894350
4-[(4-ethylsulfonylphenyl)methoxy]-2H-triazole
CID 161324627
4-[2-(2H-triazol-4-yl)ethyl]benzonitrile
CID 112717906
4-[(6-fluoro-2-pyridinyl)oxymethyl]benzonitrile
CID 59255294
4-[(4-bromo-2-pyridinyl)oxymethyl]benzonitrile
CID 177255631
4-[5-[(4-propylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859231
4-[(4-iodophenoxy)methyl]benzonitrile
CID 7694615
4-[[4-(bromomethyl)phenoxy]methyl]benzonitrile
CID 43141537
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859861
4-[(5-chloro-3-pyridinyl)oxymethyl]benzonitrile
CID 64601565
4-[(1-piperidin-4-ylpyrazol-3-yl)oxymethyl]benzonitrile
CID 164914681

Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yloxymethyl)benzonitrile?
The IUPAC name of 4-(2H-triazol-4-yloxymethyl)benzonitrile (CID 155653521) is 4-(2H-triazol-4-yloxymethyl)benzonitrile.
What is the SMILES notation for 4-(2H-triazol-4-yloxymethyl)benzonitrile?
The canonical SMILES for 4-(2H-triazol-4-yloxymethyl)benzonitrile is N#Cc1ccc(COc2cn[nH]n2)cc1.
What is the InChIKey of 4-(2H-triazol-4-yloxymethyl)benzonitrile?
The InChIKey is GVXICPHLDRQMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-5-8-1-3-9(4-2-8)7-15-10-6-12-14-13-10/h1-4,6H,7H2,(H,12,13,14).
What are the key properties of 4-(2H-triazol-4-yloxymethyl)benzonitrile?
4-(2H-triazol-4-yloxymethyl)benzonitrile has a molecular weight of 200.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yloxymethyl)benzonitrile is sourced from PubChem (CID 155653521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).