6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine

C10H10F3N3O — CID 168797814

IUPAC6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1cn2ncnc2cc1OC(F)(F)F
InChIInChI=1S/C10H10F3N3O/c1-6(2)7-4-16-9(14-5-15-16)3-8(7)17-10(11,12)13/h3-6H,1-2H3
InChIKeyQCUUKQCKAUAOKF-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.75
Rot. Bonds2

About 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine

6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797814) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797814
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)c1cn2ncnc2cc1OC(F)(F)F
InChIInChI=1S/C10H10F3N3O/c1-6(2)7-4-16-9(14-5-15-16)3-8(7)17-10(11,12)13/h3-6H,1-2H3
InChIKeyQCUUKQCKAUAOKF-UHFFFAOYSA-N
XLogP2.75
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797699
6-chloro-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 168797566
6-fluoro-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137332707
2-methyl-5,6-di(propan-2-yl)-3-(trifluoromethoxy)pyridine
CID 176694092
N-methyl-1-[2,4,5-tris(trifluoromethoxy)phenyl]ethanamine
CID 139965973
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
ethane;8-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 167592704
3-propan-2-yl-4-(trifluoromethoxy)pyridine
CID 138513813
1,2,3-tri(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 134237189
6-bromo-7-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 131677042
5-(1-methyl-2-propan-2-ylimidazol-4-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 142298603
1-tert-butyl-5-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene
CID 176750552

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine (CID 168797814) is 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine is CC(C)c1cn2ncnc2cc1OC(F)(F)F.
What is the InChIKey of 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is QCUUKQCKAUAOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c1-6(2)7-4-16-9(14-5-15-16)3-8(7)17-10(11,12)13/h3-6H,1-2H3.
What are the key properties of 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine?
6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 245.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-7-(trifluoromethoxy)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).