2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine

C15H16N4 — CID 783935

IUPAC2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine
SMILESCCc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1
InChIInChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3
InChIKeySNNHVUDPIOPIPM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.87
Rot. Bonds2

About 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine

2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine (PubChem CID 783935) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine
PubChem CID783935
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine
SMILESCCc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1
InChIInChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3
InChIKeySNNHVUDPIOPIPM-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.87
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 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine?
The IUPAC name of 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine (CID 783935) is 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine?
The canonical SMILES for 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine is CCc1ccc(-n2nc3cc(C)c(N)cc3n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine?
The InChIKey is SNNHVUDPIOPIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine?
2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-methylbenzotriazol-5-amine is sourced from PubChem (CID 783935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).