2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol

C16H16N4O2 — CID 136502357

IUPAC2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
SMILESCc1cccc(-c2nnc(-c3cccc(C)c3O)n2N)c1O
InChIInChI=1S/C16H16N4O2/c1-9-5-3-7-11(13(9)21)15-18-19-16(20(15)17)12-8-4-6-10(2)14(12)22/h3-8,21-22H,17H2,1-2H3
InChIKeyHVISQYAZFODLKT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.35
Rot. Bonds2

About 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol

2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol (PubChem CID 136502357) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol.

Molecular Properties

Compound Name2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
PubChem CID136502357
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol
SMILESCc1cccc(-c2nnc(-c3cccc(C)c3O)n2N)c1O
InChIInChI=1S/C16H16N4O2/c1-9-5-3-7-11(13(9)21)15-18-19-16(20(15)17)12-8-4-6-10(2)14(12)22/h3-8,21-22H,17H2,1-2H3
InChIKeyHVISQYAZFODLKT-UHFFFAOYSA-N
XLogP2.35
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol?
The IUPAC name of 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol (CID 136502357) is 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol.
What is the SMILES notation for 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol?
The canonical SMILES for 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol is Cc1cccc(-c2nnc(-c3cccc(C)c3O)n2N)c1O.
What is the InChIKey of 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol?
The InChIKey is HVISQYAZFODLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-5-3-7-11(13(9)21)15-18-19-16(20(15)17)12-8-4-6-10(2)14(12)22/h3-8,21-22H,17H2,1-2H3.
What are the key properties of 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol?
2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol has a molecular weight of 296.33 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-(2-hydroxy-3-methylphenyl)-1,2,4-triazol-3-yl]-6-methylphenol is sourced from PubChem (CID 136502357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).