6-methoxy-2-phenylbenzotriazol-5-amine

C13H12N4O — CID 21436397

IUPAC6-methoxy-2-phenylbenzotriazol-5-amine
SMILESCOc1cc2nn(-c3ccccc3)nc2cc1N
InChIInChI=1S/C13H12N4O/c1-18-13-8-12-11(7-10(13)14)15-17(16-12)9-5-3-2-4-6-9/h2-8H,14H2,1H3
InChIKeyNRSFQKRQMSBQAO-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.01
Rot. Bonds2

About 6-methoxy-2-phenylbenzotriazol-5-amine

6-methoxy-2-phenylbenzotriazol-5-amine (PubChem CID 21436397) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-methoxy-2-phenylbenzotriazol-5-amine.

Molecular Properties

Compound Name6-methoxy-2-phenylbenzotriazol-5-amine
PubChem CID21436397
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-methoxy-2-phenylbenzotriazol-5-amine
SMILESCOc1cc2nn(-c3ccccc3)nc2cc1N
InChIInChI=1S/C13H12N4O/c1-18-13-8-12-11(7-10(13)14)15-17(16-12)9-5-3-2-4-6-9/h2-8H,14H2,1H3
InChIKeyNRSFQKRQMSBQAO-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-2-phenylbenzotriazol-5-amine?
The IUPAC name of 6-methoxy-2-phenylbenzotriazol-5-amine (CID 21436397) is 6-methoxy-2-phenylbenzotriazol-5-amine.
What is the SMILES notation for 6-methoxy-2-phenylbenzotriazol-5-amine?
The canonical SMILES for 6-methoxy-2-phenylbenzotriazol-5-amine is COc1cc2nn(-c3ccccc3)nc2cc1N.
What is the InChIKey of 6-methoxy-2-phenylbenzotriazol-5-amine?
The InChIKey is NRSFQKRQMSBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-13-8-12-11(7-10(13)14)15-17(16-12)9-5-3-2-4-6-9/h2-8H,14H2,1H3.
What are the key properties of 6-methoxy-2-phenylbenzotriazol-5-amine?
6-methoxy-2-phenylbenzotriazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylbenzotriazol-5-amine is sourced from PubChem (CID 21436397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).