6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C16H17N3 — CID 11776952

IUPAC6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Cc3ccccc3)cn12
InChIInChI=1S/C16H17N3/c1-12(2)16-18-17-15-9-8-14(11-19(15)16)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyCCHDWFZTASWCMH-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.44
Rot. Bonds3

About 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 11776952) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID11776952
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2ccc(Cc3ccccc3)cn12
InChIInChI=1S/C16H17N3/c1-12(2)16-18-17-15-9-8-14(11-19(15)16)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
InChIKeyCCHDWFZTASWCMH-UHFFFAOYSA-N
XLogP3.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 11776952) is 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2ccc(Cc3ccccc3)cn12.
What is the InChIKey of 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CCHDWFZTASWCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12(2)16-18-17-15-9-8-14(11-19(15)16)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 251.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 11776952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).