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

C21H20N4O2 — CID 53233539

IUPAC4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol
SMILESCOc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1
InChIInChI=1S/C21H20N4O2/c1-13-10-16(11-14(2)20(13)26)15-8-9-19-23-21(24-25(19)12-15)22-17-6-4-5-7-18(17)27-3/h4-12,26H,1-3H3,(H,22,24)
InChIKeyOVEPLRQMCGSRTM-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.47
Rot. Bonds4

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

4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol (PubChem CID 53233539) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol
PubChem CID53233539
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol
SMILESCOc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1
InChIInChI=1S/C21H20N4O2/c1-13-10-16(11-14(2)20(13)26)15-8-9-19-23-21(24-25(19)12-15)22-17-6-4-5-7-18(17)27-3/h4-12,26H,1-3H3,(H,22,24)
InChIKeyOVEPLRQMCGSRTM-UHFFFAOYSA-N
XLogP4.47
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol?
The IUPAC name of 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol (CID 53233539) is 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol?
The canonical SMILES for 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol is COc1ccccc1Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1.
What is the InChIKey of 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol?
The InChIKey is OVEPLRQMCGSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-10-16(11-14(2)20(13)26)15-8-9-19-23-21(24-25(19)12-15)22-17-6-4-5-7-18(17)27-3/h4-12,26H,1-3H3,(H,22,24).
What are the key properties of 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol?
4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol has a molecular weight of 360.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol is sourced from PubChem (CID 53233539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).