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

C16H17N3 — CID 162646330

IUPAC3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3cccc(C(C)C)c3)cn12
InChIInChI=1S/C16H17N3/c1-11(2)13-5-4-6-14(9-13)15-7-8-16-18-17-12(3)19(16)10-15/h4-11H,1-3H3
InChIKeySCKWIBQUMCRWIA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.83
Rot. Bonds2

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

3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162646330) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162646330
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2ccc(-c3cccc(C(C)C)c3)cn12
InChIInChI=1S/C16H17N3/c1-11(2)13-5-4-6-14(9-13)15-7-8-16-18-17-12(3)19(16)10-15/h4-11H,1-3H3
InChIKeySCKWIBQUMCRWIA-UHFFFAOYSA-N
XLogP3.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162646330) is 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2ccc(-c3cccc(C(C)C)c3)cn12.
What is the InChIKey of 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SCKWIBQUMCRWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(2)13-5-4-6-14(9-13)15-7-8-16-18-17-12(3)19(16)10-15/h4-11H,1-3H3.
What are the key properties of 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162646330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).