2-phenylbenzotriazol-5-amine

C12H10N4 — CID 721090

IUPAC2-phenylbenzotriazol-5-amine
SMILESNc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C12H10N4/c13-9-6-7-11-12(8-9)15-16(14-11)10-4-2-1-3-5-10/h1-8H,13H2
InChIKeyNIOQXFRLZIIVCT-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.00
Rot. Bonds1

About 2-phenylbenzotriazol-5-amine

2-phenylbenzotriazol-5-amine (PubChem CID 721090) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-phenylbenzotriazol-5-amine.

Molecular Properties

Compound Name2-phenylbenzotriazol-5-amine
PubChem CID721090
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name2-phenylbenzotriazol-5-amine
SMILESNc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C12H10N4/c13-9-6-7-11-12(8-9)15-16(14-11)10-4-2-1-3-5-10/h1-8H,13H2
InChIKeyNIOQXFRLZIIVCT-UHFFFAOYSA-N
XLogP2.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.00
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-phenylbenzotriazol-5-amine?
The IUPAC name of 2-phenylbenzotriazol-5-amine (CID 721090) is 2-phenylbenzotriazol-5-amine.
What is the SMILES notation for 2-phenylbenzotriazol-5-amine?
The canonical SMILES for 2-phenylbenzotriazol-5-amine is Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of 2-phenylbenzotriazol-5-amine?
The InChIKey is NIOQXFRLZIIVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-9-6-7-11-12(8-9)15-16(14-11)10-4-2-1-3-5-10/h1-8H,13H2.
What are the key properties of 2-phenylbenzotriazol-5-amine?
2-phenylbenzotriazol-5-amine has a molecular weight of 210.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylbenzotriazol-5-amine is sourced from PubChem (CID 721090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).