4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol

C20H18N4O — CID 141301379

IUPAC4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol
SMILESCc1cc(-c2ccc3nc(Nc4ccccc4)nn3c2)cc(C)c1O
InChIInChI=1S/C20H18N4O/c1-13-10-16(11-14(2)19(13)25)15-8-9-18-22-20(23-24(18)12-15)21-17-6-4-3-5-7-17/h3-12,25H,1-2H3,(H,21,23)
InChIKeyGQKNWORYRRRTGW-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds3

About 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol

4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol (PubChem CID 141301379) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol
PubChem CID141301379
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol
SMILESCc1cc(-c2ccc3nc(Nc4ccccc4)nn3c2)cc(C)c1O
InChIInChI=1S/C20H18N4O/c1-13-10-16(11-14(2)19(13)25)15-8-9-18-22-20(23-24(18)12-15)21-17-6-4-3-5-7-17/h3-12,25H,1-2H3,(H,21,23)
InChIKeyGQKNWORYRRRTGW-UHFFFAOYSA-N
XLogP4.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol (CID 141301379) is 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol is Cc1cc(-c2ccc3nc(Nc4ccccc4)nn3c2)cc(C)c1O.
What is the InChIKey of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol?
The InChIKey is GQKNWORYRRRTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-10-16(11-14(2)19(13)25)15-8-9-18-22-20(23-24(18)12-15)21-17-6-4-3-5-7-17/h3-12,25H,1-2H3,(H,21,23).
What are the key properties of 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol?
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol has a molecular weight of 330.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,6-dimethylphenol is sourced from PubChem (CID 141301379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).