3-(benzotriazol-1-ylmethylamino)phenol

C13H12N4O — CID 4189307

IUPAC3-(benzotriazol-1-ylmethylamino)phenol
SMILESOc1cccc(NCn2nnc3ccccc32)c1
InChIInChI=1S/C13H12N4O/c18-11-5-3-4-10(8-11)14-9-17-13-7-2-1-6-12(13)15-16-17/h1-8,14,18H,9H2
InChIKeyKHVZXMJTXSNNJO-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.21
Rot. Bonds3

About 3-(benzotriazol-1-ylmethylamino)phenol

3-(benzotriazol-1-ylmethylamino)phenol (PubChem CID 4189307) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(benzotriazol-1-ylmethylamino)phenol.

Molecular Properties

Compound Name3-(benzotriazol-1-ylmethylamino)phenol
PubChem CID4189307
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(benzotriazol-1-ylmethylamino)phenol
SMILESOc1cccc(NCn2nnc3ccccc32)c1
InChIInChI=1S/C13H12N4O/c18-11-5-3-4-10(8-11)14-9-17-13-7-2-1-6-12(13)15-16-17/h1-8,14,18H,9H2
InChIKeyKHVZXMJTXSNNJO-UHFFFAOYSA-N
XLogP2.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-ylmethylamino)phenol?
The IUPAC name of 3-(benzotriazol-1-ylmethylamino)phenol (CID 4189307) is 3-(benzotriazol-1-ylmethylamino)phenol.
What is the SMILES notation for 3-(benzotriazol-1-ylmethylamino)phenol?
The canonical SMILES for 3-(benzotriazol-1-ylmethylamino)phenol is Oc1cccc(NCn2nnc3ccccc32)c1.
What is the InChIKey of 3-(benzotriazol-1-ylmethylamino)phenol?
The InChIKey is KHVZXMJTXSNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-11-5-3-4-10(8-11)14-9-17-13-7-2-1-6-12(13)15-16-17/h1-8,14,18H,9H2.
What are the key properties of 3-(benzotriazol-1-ylmethylamino)phenol?
3-(benzotriazol-1-ylmethylamino)phenol has a molecular weight of 240.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-ylmethylamino)phenol is sourced from PubChem (CID 4189307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).