3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C16H12N4O — CID 155556423

IUPAC3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccc[nH]4)cn23)c1
InChIInChI=1S/C16H12N4O/c21-13-4-1-3-11(9-13)16-19-18-15-7-6-12(10-20(15)16)14-5-2-8-17-14/h1-10,17,21H
InChIKeyUMCZGNUDKMWYIY-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.10
Rot. Bonds2

About 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 155556423) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID155556423
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccc[nH]4)cn23)c1
InChIInChI=1S/C16H12N4O/c21-13-4-1-3-11(9-13)16-19-18-15-7-6-12(10-20(15)16)14-5-2-8-17-14/h1-10,17,21H
InChIKeyUMCZGNUDKMWYIY-UHFFFAOYSA-N
XLogP3.10
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 155556423) is 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Oc1cccc(-c2nnc3ccc(-c4ccc[nH]4)cn23)c1.
What is the InChIKey of 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is UMCZGNUDKMWYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-13-4-1-3-11(9-13)16-19-18-15-7-6-12(10-20(15)16)14-5-2-8-17-14/h1-10,17,21H.
What are the key properties of 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 276.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 155556423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).