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

C16H13N5O — CID 155563848

IUPAC3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESCn1nccc1-c1ccc2nnc(-c3cccc(O)c3)n2c1
InChIInChI=1S/C16H13N5O/c1-20-14(7-8-17-20)12-5-6-15-18-19-16(21(15)10-12)11-3-2-4-13(22)9-11/h2-10,22H,1H3
InChIKeyPYIHVLKLDDFUBF-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.50
Rot. Bonds2

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

3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 155563848) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID155563848
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESCn1nccc1-c1ccc2nnc(-c3cccc(O)c3)n2c1
InChIInChI=1S/C16H13N5O/c1-20-14(7-8-17-20)12-5-6-15-18-19-16(21(15)10-12)11-3-2-4-13(22)9-11/h2-10,22H,1H3
InChIKeyPYIHVLKLDDFUBF-UHFFFAOYSA-N
XLogP2.50
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 155563848) is 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Cn1nccc1-c1ccc2nnc(-c3cccc(O)c3)n2c1.
What is the InChIKey of 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is PYIHVLKLDDFUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c1-20-14(7-8-17-20)12-5-6-15-18-19-16(21(15)10-12)11-3-2-4-13(22)9-11/h2-10,22H,1H3.
What are the key properties of 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 291.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 155563848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).