4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol

C17H15N5O2 — CID 177176669

IUPAC4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol
SMILESCCn1cnnc1-c1cc(Oc2ccc(O)cc2)n2cncc2c1
InChIInChI=1S/C17H15N5O2/c1-2-21-11-19-20-17(21)12-7-13-9-18-10-22(13)16(8-12)24-15-5-3-14(23)4-6-15/h3-11,23H,2H2,1H3
InChIKeyDVIQHNQIBILOHF-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.11
Rot. Bonds4

About 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol

4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol (PubChem CID 177176669) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol.

Molecular Properties

Compound Name4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol
PubChem CID177176669
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol
SMILESCCn1cnnc1-c1cc(Oc2ccc(O)cc2)n2cncc2c1
InChIInChI=1S/C17H15N5O2/c1-2-21-11-19-20-17(21)12-7-13-9-18-10-22(13)16(8-12)24-15-5-3-14(23)4-6-15/h3-11,23H,2H2,1H3
InChIKeyDVIQHNQIBILOHF-UHFFFAOYSA-N
XLogP3.11
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol?
The IUPAC name of 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol (CID 177176669) is 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol.
What is the SMILES notation for 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol?
The canonical SMILES for 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol is CCn1cnnc1-c1cc(Oc2ccc(O)cc2)n2cncc2c1.
What is the InChIKey of 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol?
The InChIKey is DVIQHNQIBILOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-2-21-11-19-20-17(21)12-7-13-9-18-10-22(13)16(8-12)24-15-5-3-14(23)4-6-15/h3-11,23H,2H2,1H3.
What are the key properties of 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol?
4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol has a molecular weight of 321.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-ethyl-1,2,4-triazol-3-yl)imidazo[1,5-a]pyridin-5-yl]oxyphenol is sourced from PubChem (CID 177176669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).