3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

C11H14FN3 — CID 137354654

IUPAC3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)Cc1nnc2ccc(F)cn12
InChIInChI=1S/C11H14FN3/c1-11(2,3)6-10-14-13-9-5-4-8(12)7-15(9)10/h4-5,7H,6H2,1-3H3
InChIKeyHNVAAPMHGCRIII-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.46
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine

3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 137354654) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID137354654
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)(C)Cc1nnc2ccc(F)cn12
InChIInChI=1S/C11H14FN3/c1-11(2,3)6-10-14-13-9-5-4-8(12)7-15(9)10/h4-5,7H,6H2,1-3H3
InChIKeyHNVAAPMHGCRIII-UHFFFAOYSA-N
XLogP2.46
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine (CID 137354654) is 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)(C)Cc1nnc2ccc(F)cn12.
What is the InChIKey of 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HNVAAPMHGCRIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-11(2,3)6-10-14-13-9-5-4-8(12)7-15(9)10/h4-5,7H,6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine?
3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 207.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 137354654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).