7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C12H16FN3 — CID 177049451

IUPAC7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cn2c(C(C)C)nnc2cc1F
InChIInChI=1S/C12H16FN3/c1-7(2)9-6-16-11(5-10(9)13)14-15-12(16)8(3)4/h5-8H,1-4H3
InChIKeyBKXVNKZJVYJPBY-UHFFFAOYSA-N
MW221.28 g/mol
LogP3.12
Rot. Bonds2

About 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 177049451) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID177049451
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1cn2c(C(C)C)nnc2cc1F
InChIInChI=1S/C12H16FN3/c1-7(2)9-6-16-11(5-10(9)13)14-15-12(16)8(3)4/h5-8H,1-4H3
InChIKeyBKXVNKZJVYJPBY-UHFFFAOYSA-N
XLogP3.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluoro-2-methylphenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 173185327
6-phenyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 177308311
4-(3-chloro-4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
CID 23433783
2-amino-2-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanol
CID 83889517
6-(2,4-dichlorophenyl)sulfanyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 46226973
6-methylsulfinyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 130374155
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carbaldehyde
CID 82404564
6-benzyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 11776952
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
3-chloro-4-(4-chloro-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole
CID 63389450
1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 83870127
3-chloro-5-propan-2-yl-4-(2,3,5,6-tetrafluorophenyl)-1,2,4-triazole
CID 107646085

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 177049451) is 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1cn2c(C(C)C)nnc2cc1F.
What is the InChIKey of 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BKXVNKZJVYJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-7(2)9-6-16-11(5-10(9)13)14-15-12(16)8(3)4/h5-8H,1-4H3.
What are the key properties of 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 221.28 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,6-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 177049451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).