2-(benzotriazol-1-ylmethoxy)benzonitrile

C14H10N4O — CID 51060059

IUPAC2-(benzotriazol-1-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCn1nnc2ccccc21
InChIInChI=1S/C14H10N4O/c15-9-11-5-1-4-8-14(11)19-10-18-13-7-3-2-6-12(13)16-17-18/h1-8H,10H2
InChIKeySTWSPKZWVWWMHO-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.34
Rot. Bonds3

About 2-(benzotriazol-1-ylmethoxy)benzonitrile

2-(benzotriazol-1-ylmethoxy)benzonitrile (PubChem CID 51060059) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(benzotriazol-1-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2-(benzotriazol-1-ylmethoxy)benzonitrile
PubChem CID51060059
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-(benzotriazol-1-ylmethoxy)benzonitrile
SMILESN#Cc1ccccc1OCn1nnc2ccccc21
InChIInChI=1S/C14H10N4O/c15-9-11-5-1-4-8-14(11)19-10-18-13-7-3-2-6-12(13)16-17-18/h1-8H,10H2
InChIKeySTWSPKZWVWWMHO-UHFFFAOYSA-N
XLogP2.34
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzotriazol-1-ylmethoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-ylmethoxy)benzonitrile?
The IUPAC name of 2-(benzotriazol-1-ylmethoxy)benzonitrile (CID 51060059) is 2-(benzotriazol-1-ylmethoxy)benzonitrile.
What is the SMILES notation for 2-(benzotriazol-1-ylmethoxy)benzonitrile?
The canonical SMILES for 2-(benzotriazol-1-ylmethoxy)benzonitrile is N#Cc1ccccc1OCn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-ylmethoxy)benzonitrile?
The InChIKey is STWSPKZWVWWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-9-11-5-1-4-8-14(11)19-10-18-13-7-3-2-6-12(13)16-17-18/h1-8H,10H2.
What are the key properties of 2-(benzotriazol-1-ylmethoxy)benzonitrile?
2-(benzotriazol-1-ylmethoxy)benzonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-ylmethoxy)benzonitrile is sourced from PubChem (CID 51060059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).