6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine

C16H9F3N6S — CID 169107986

IUPAC6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(Sc2nccnc2-c2cnc3n[nH]nc3c2)cc1
InChIInChI=1S/C16H9F3N6S/c17-16(18,19)10-1-3-11(4-2-10)26-15-13(20-5-6-21-15)9-7-12-14(22-8-9)24-25-23-12/h1-8H,(H,22,23,24,25)
InChIKeyQXXSMJYALWSNAJ-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.98
Rot. Bonds3

About 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine

6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine (PubChem CID 169107986) has the molecular formula C16H9F3N6S and a molecular weight of 374.35 g/mol. Its IUPAC name is 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine
PubChem CID169107986
Molecular FormulaC16H9F3N6S
Molecular Weight374.35 g/mol
Exact Mass374.06
IUPAC Name6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc(Sc2nccnc2-c2cnc3n[nH]nc3c2)cc1
InChIInChI=1S/C16H9F3N6S/c17-16(18,19)10-1-3-11(4-2-10)26-15-13(20-5-6-21-15)9-7-12-14(22-8-9)24-25-23-12/h1-8H,(H,22,23,24,25)
InChIKeyQXXSMJYALWSNAJ-UHFFFAOYSA-N
XLogP3.98
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
CID 169108499
ethane;7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-4H-1λ4,2,4-benzothiadiazine 1-oxide
CID 169107996
6-[1-[4-(trifluoromethyl)phenyl]-2H-pyridin-3-yl]-2H-triazolo[4,5-b]pyridine
CID 175930741
4-methyl-7-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 169108193
2-(4-fluorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-3-amine
CID 139640007
[3-(4-tert-butylphenyl)sulfanylpyrazin-2-yl]methanamine
CID 62685534
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
CID 91806192
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one
CID 58092421
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
5-[4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole
CID 22401460
4-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 135484464
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine (CID 169107986) is 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine is FC(F)(F)c1ccc(Sc2nccnc2-c2cnc3n[nH]nc3c2)cc1.
What is the InChIKey of 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine?
The InChIKey is QXXSMJYALWSNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N6S/c17-16(18,19)10-1-3-11(4-2-10)26-15-13(20-5-6-21-15)9-7-12-14(22-8-9)24-25-23-12/h1-8H,(H,22,23,24,25).
What are the key properties of 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine?
6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine has a molecular weight of 374.35 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 169107986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).