2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol

C16H16N4O2 — CID 82370610

IUPAC2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-c2nnn(-c3ccccc3O)c2N)cc1C
InChIInChI=1S/C16H16N4O2/c1-10-9-11(7-8-14(10)22-2)15-16(17)20(19-18-15)12-5-3-4-6-13(12)21/h3-9,21H,17H2,1-2H3
InChIKeyNIVDIVYUNBWTKG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.54
Rot. Bonds3

About 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol

2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol (PubChem CID 82370610) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
PubChem CID82370610
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol
SMILESCOc1ccc(-c2nnn(-c3ccccc3O)c2N)cc1C
InChIInChI=1S/C16H16N4O2/c1-10-9-11(7-8-14(10)22-2)15-16(17)20(19-18-15)12-5-3-4-6-13(12)21/h3-9,21H,17H2,1-2H3
InChIKeyNIVDIVYUNBWTKG-UHFFFAOYSA-N
XLogP2.54
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol?
The IUPAC name of 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol (CID 82370610) is 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol is COc1ccc(-c2nnn(-c3ccccc3O)c2N)cc1C.
What is the InChIKey of 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol?
The InChIKey is NIVDIVYUNBWTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-9-11(7-8-14(10)22-2)15-16(17)20(19-18-15)12-5-3-4-6-13(12)21/h3-9,21H,17H2,1-2H3.
What are the key properties of 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol?
2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol has a molecular weight of 296.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(4-methoxy-3-methylphenyl)triazol-1-yl]phenol is sourced from PubChem (CID 82370610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).