N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C16H16N4O2 — CID 25129381

IUPACN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1
InChIInChI=1S/C16H16N4O2/c1-9-6-13(7-10(2)15(9)22)12-4-5-14-18-16(17-11(3)21)19-20(14)8-12/h4-8,22H,1-3H3,(H,17,19,21)
InChIKeySYCBEFBZYLLCNR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.68
Rot. Bonds2

About N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 25129381) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID25129381
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1
InChIInChI=1S/C16H16N4O2/c1-9-6-13(7-10(2)15(9)22)12-4-5-14-18-16(17-11(3)21)19-20(14)8-12/h4-8,22H,1-3H3,(H,17,19,21)
InChIKeySYCBEFBZYLLCNR-UHFFFAOYSA-N
XLogP2.68
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 25129381) is N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3cc(C)c(O)c(C)c3)cn2n1.
What is the InChIKey of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is SYCBEFBZYLLCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-9-6-13(7-10(2)15(9)22)12-4-5-14-18-16(17-11(3)21)19-20(14)8-12/h4-8,22H,1-3H3,(H,17,19,21).
What are the key properties of N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 25129381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).