6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

C18H17N5 — CID 162646075

IUPAC6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4cn[nH]c4)n3c2)c1
InChIInChI=1S/C18H17N5/c1-12(2)13-4-3-5-14(8-13)15-6-7-17-21-22-18(23(17)11-15)16-9-19-20-10-16/h3-12H,1-2H3,(H,19,20)
InChIKeyYXMHIJHICPWCMU-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.91
Rot. Bonds3

About 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162646075) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162646075
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cccc(-c2ccc3nnc(-c4cn[nH]c4)n3c2)c1
InChIInChI=1S/C18H17N5/c1-12(2)13-4-3-5-14(8-13)15-6-7-17-21-22-18(23(17)11-15)16-9-19-20-10-16/h3-12H,1-2H3,(H,19,20)
InChIKeyYXMHIJHICPWCMU-UHFFFAOYSA-N
XLogP3.91
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162646075) is 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1cccc(-c2ccc3nnc(-c4cn[nH]c4)n3c2)c1.
What is the InChIKey of 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YXMHIJHICPWCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12(2)13-4-3-5-14(8-13)15-6-7-17-21-22-18(23(17)11-15)16-9-19-20-10-16/h3-12H,1-2H3,(H,19,20).
What are the key properties of 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 303.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylphenyl)-3-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162646075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).