N-(benzotriazol-1-ylmethyl)-N-methylaniline

C14H14N4 — CID 3526709

IUPACN-(benzotriazol-1-ylmethyl)-N-methylaniline
SMILESCN(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H14N4/c1-17(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)15-16-18/h2-10H,11H2,1H3
InChIKeyVIBLZNXJYGXWHR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.53
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)-N-methylaniline

N-(benzotriazol-1-ylmethyl)-N-methylaniline (PubChem CID 3526709) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-N-methylaniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-N-methylaniline
PubChem CID3526709
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC NameN-(benzotriazol-1-ylmethyl)-N-methylaniline
SMILESCN(Cn1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C14H14N4/c1-17(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)15-16-18/h2-10H,11H2,1H3
InChIKeyVIBLZNXJYGXWHR-UHFFFAOYSA-N
XLogP2.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-N-methylaniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-N-methylaniline (CID 3526709) is N-(benzotriazol-1-ylmethyl)-N-methylaniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-N-methylaniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-N-methylaniline is CN(Cn1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-N-methylaniline?
The InChIKey is VIBLZNXJYGXWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-17(12-7-3-2-4-8-12)11-18-14-10-6-5-9-13(14)15-16-18/h2-10H,11H2,1H3.
What are the key properties of N-(benzotriazol-1-ylmethyl)-N-methylaniline?
N-(benzotriazol-1-ylmethyl)-N-methylaniline has a molecular weight of 238.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-N-methylaniline is sourced from PubChem (CID 3526709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).