4-(benzotriazol-2-yl)-N,N-dimethylaniline

C14H14N4 — CID 14344228

IUPAC4-(benzotriazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C14H14N4/c1-17(2)11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)16-18/h3-10H,1-2H3
InChIKeyKKIQDSQOXCLJBI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.49
Rot. Bonds2

About 4-(benzotriazol-2-yl)-N,N-dimethylaniline

4-(benzotriazol-2-yl)-N,N-dimethylaniline (PubChem CID 14344228) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(benzotriazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(benzotriazol-2-yl)-N,N-dimethylaniline
PubChem CID14344228
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(benzotriazol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-n2nc3ccccc3n2)cc1
InChIInChI=1S/C14H14N4/c1-17(2)11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)16-18/h3-10H,1-2H3
InChIKeyKKIQDSQOXCLJBI-UHFFFAOYSA-N
XLogP2.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(benzotriazol-2-yl)-N,N-dimethylaniline (CID 14344228) is 4-(benzotriazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(benzotriazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(benzotriazol-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-n2nc3ccccc3n2)cc1.
What is the InChIKey of 4-(benzotriazol-2-yl)-N,N-dimethylaniline?
The InChIKey is KKIQDSQOXCLJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-17(2)11-7-9-12(10-8-11)18-15-13-5-3-4-6-14(13)16-18/h3-10H,1-2H3.
What are the key properties of 4-(benzotriazol-2-yl)-N,N-dimethylaniline?
4-(benzotriazol-2-yl)-N,N-dimethylaniline has a molecular weight of 238.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 14344228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).