5-methyl-2-(5-methylbenzotriazol-2-yl)aniline

C14H14N4 — CID 164673395

IUPAC5-methyl-2-(5-methylbenzotriazol-2-yl)aniline
SMILESCc1ccc(-n2nc3ccc(C)cc3n2)c(N)c1
InChIInChI=1S/C14H14N4/c1-9-4-6-14(11(15)7-9)18-16-12-5-3-10(2)8-13(12)17-18/h3-8H,15H2,1-2H3
InChIKeyAQQGZKRQTSXUFW-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.62
Rot. Bonds1

About 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline

5-methyl-2-(5-methylbenzotriazol-2-yl)aniline (PubChem CID 164673395) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline.

Molecular Properties

Compound Name5-methyl-2-(5-methylbenzotriazol-2-yl)aniline
PubChem CID164673395
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-methyl-2-(5-methylbenzotriazol-2-yl)aniline
SMILESCc1ccc(-n2nc3ccc(C)cc3n2)c(N)c1
InChIInChI=1S/C14H14N4/c1-9-4-6-14(11(15)7-9)18-16-12-5-3-10(2)8-13(12)17-18/h3-8H,15H2,1-2H3
InChIKeyAQQGZKRQTSXUFW-UHFFFAOYSA-N
XLogP2.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
The IUPAC name of 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline (CID 164673395) is 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline.
What is the SMILES notation for 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
The canonical SMILES for 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline is Cc1ccc(-n2nc3ccc(C)cc3n2)c(N)c1.
What is the InChIKey of 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
The InChIKey is AQQGZKRQTSXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-4-6-14(11(15)7-9)18-16-12-5-3-10(2)8-13(12)17-18/h3-8H,15H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline?
5-methyl-2-(5-methylbenzotriazol-2-yl)aniline has a molecular weight of 238.29 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylbenzotriazol-2-yl)aniline is sourced from PubChem (CID 164673395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).