2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C19H17F3N6 — CID 166557308

IUPAC2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC[C@H](Cc1nncn1C)c1cccc(-c2nc3cccc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C19H17F3N6/c1-12(9-17-25-23-11-27(17)2)13-5-3-6-14(10-13)18-24-16-8-4-7-15(19(20,21)22)28(16)26-18/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1
InChIKeyMFQAGFXXUGOFKO-GFCCVEGCSA-N
MW386.38 g/mol
LogP3.89
Rot. Bonds4

About 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 166557308) has the molecular formula C19H17F3N6 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID166557308
Molecular FormulaC19H17F3N6
Molecular Weight386.38 g/mol
Exact Mass386.15
IUPAC Name2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC[C@H](Cc1nncn1C)c1cccc(-c2nc3cccc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C19H17F3N6/c1-12(9-17-25-23-11-27(17)2)13-5-3-6-14(10-13)18-24-16-8-4-7-15(19(20,21)22)28(16)26-18/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1
InChIKeyMFQAGFXXUGOFKO-GFCCVEGCSA-N
XLogP3.89
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

CID 166557762
CID 166557762
3-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 139350886
4-methyl-3-[2-(3-nitrophenyl)propyl]-1,2,4-triazole
CID 139350400
4-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-1H-pyridin-2-one
CID 139350433
N-[4-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]-2-pyridinyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139360877
6-bromo-2-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139349728
6-acetyl-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350174
4-cyclopropyl-N-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 139349881
2-[3-bromo-5-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 165378844
5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole
CID 141120723
3-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126425555
6-(3-hydroxyazetidine-1-carbonyl)-2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139350286

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 166557308) is 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is C[C@H](Cc1nncn1C)c1cccc(-c2nc3cccc(C(F)(F)F)n3n2)c1.
What is the InChIKey of 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MFQAGFXXUGOFKO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F3N6/c1-12(9-17-25-23-11-27(17)2)13-5-3-6-14(10-13)18-24-16-8-4-7-15(19(20,21)22)28(16)26-18/h3-8,10-12H,9H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 386.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 166557308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).