6-methyl-2-phenylbenzotriazol-5-amine

C13H12N4 — CID 614180

IUPAC6-methyl-2-phenylbenzotriazol-5-amine
SMILESCc1cc2nn(-c3ccccc3)nc2cc1N
InChIInChI=1S/C13H12N4/c1-9-7-12-13(8-11(9)14)16-17(15-12)10-5-3-2-4-6-10/h2-8H,14H2,1H3
InChIKeyITGZELOHCKIVPL-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.31
Rot. Bonds1

About 6-methyl-2-phenylbenzotriazol-5-amine

6-methyl-2-phenylbenzotriazol-5-amine (PubChem CID 614180) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-methyl-2-phenylbenzotriazol-5-amine.

Molecular Properties

Compound Name6-methyl-2-phenylbenzotriazol-5-amine
PubChem CID614180
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-methyl-2-phenylbenzotriazol-5-amine
SMILESCc1cc2nn(-c3ccccc3)nc2cc1N
InChIInChI=1S/C13H12N4/c1-9-7-12-13(8-11(9)14)16-17(15-12)10-5-3-2-4-6-10/h2-8H,14H2,1H3
InChIKeyITGZELOHCKIVPL-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.31
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 6-methyl-2-phenylbenzotriazol-5-amine?
The IUPAC name of 6-methyl-2-phenylbenzotriazol-5-amine (CID 614180) is 6-methyl-2-phenylbenzotriazol-5-amine.
What is the SMILES notation for 6-methyl-2-phenylbenzotriazol-5-amine?
The canonical SMILES for 6-methyl-2-phenylbenzotriazol-5-amine is Cc1cc2nn(-c3ccccc3)nc2cc1N.
What is the InChIKey of 6-methyl-2-phenylbenzotriazol-5-amine?
The InChIKey is ITGZELOHCKIVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-7-12-13(8-11(9)14)16-17(15-12)10-5-3-2-4-6-10/h2-8H,14H2,1H3.
What are the key properties of 6-methyl-2-phenylbenzotriazol-5-amine?
6-methyl-2-phenylbenzotriazol-5-amine has a molecular weight of 224.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylbenzotriazol-5-amine is sourced from PubChem (CID 614180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).