3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C15H11N5O — CID 155520896

IUPAC3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccn[nH]4)cn23)c1
InChIInChI=1S/C15H11N5O/c21-12-3-1-2-10(8-12)15-19-18-14-5-4-11(9-20(14)15)13-6-7-16-17-13/h1-9,21H,(H,16,17)
InChIKeyLQQJJTQOQBWLDQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.49
Rot. Bonds2

About 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 155520896) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID155520896
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESOc1cccc(-c2nnc3ccc(-c4ccn[nH]4)cn23)c1
InChIInChI=1S/C15H11N5O/c21-12-3-1-2-10(8-12)15-19-18-14-5-4-11(9-20(14)15)13-6-7-16-17-13/h1-9,21H,(H,16,17)
InChIKeyLQQJJTQOQBWLDQ-UHFFFAOYSA-N
XLogP2.49
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 155520896) is 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Oc1cccc(-c2nnc3ccc(-c4ccn[nH]4)cn23)c1.
What is the InChIKey of 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is LQQJJTQOQBWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-12-3-1-2-10(8-12)15-19-18-14-5-4-11(9-20(14)15)13-6-7-16-17-13/h1-9,21H,(H,16,17).
What are the key properties of 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 277.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 155520896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).