4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol

C14H10N6O — CID 175691214

IUPAC4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol
SMILESCc1ccc(O)c(-n2nc3ccc4nnncc4c3n2)c1
InChIInChI=1S/C14H10N6O/c1-8-2-5-13(21)12(6-8)20-17-11-4-3-10-9(14(11)18-20)7-15-19-16-10/h2-7,21H,1H3
InChIKeyWKMMYWDLJPXHER-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.77
Rot. Bonds1

About 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol

4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol (PubChem CID 175691214) has the molecular formula C14H10N6O and a molecular weight of 278.28 g/mol. Its IUPAC name is 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol
PubChem CID175691214
Molecular FormulaC14H10N6O
Molecular Weight278.28 g/mol
Exact Mass278.09
IUPAC Name4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol
SMILESCc1ccc(O)c(-n2nc3ccc4nnncc4c3n2)c1
InChIInChI=1S/C14H10N6O/c1-8-2-5-13(21)12(6-8)20-17-11-4-3-10-9(14(11)18-20)7-15-19-16-10/h2-7,21H,1H3
InChIKeyWKMMYWDLJPXHER-UHFFFAOYSA-N
XLogP1.77
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol?
The IUPAC name of 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol (CID 175691214) is 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol.
What is the SMILES notation for 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol?
The canonical SMILES for 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol is Cc1ccc(O)c(-n2nc3ccc4nnncc4c3n2)c1.
What is the InChIKey of 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol?
The InChIKey is WKMMYWDLJPXHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O/c1-8-2-5-13(21)12(6-8)20-17-11-4-3-10-9(14(11)18-20)7-15-19-16-10/h2-7,21H,1H3.
What are the key properties of 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol?
4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol has a molecular weight of 278.28 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(triazolo[4,5-f][1,2,3]benzotriazin-2-yl)phenol is sourced from PubChem (CID 175691214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).