4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline

C15H6ClF4N5S — CID 133426385

IUPAC4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline
SMILESFc1ccc2ncnc(Sc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2c1
InChIInChI=1S/C15H6ClF4N5S/c16-10-3-7(15(18,19)20)5-25-12(10)23-24-14(25)26-13-9-4-8(17)1-2-11(9)21-6-22-13/h1-6H
InChIKeyMDGFMYJJFRTDBJ-UHFFFAOYSA-N
MW399.76 g/mol
LogP4.64
Rot. Bonds2

About 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline

4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline (PubChem CID 133426385) has the molecular formula C15H6ClF4N5S and a molecular weight of 399.76 g/mol. Its IUPAC name is 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline.

Molecular Properties

Compound Name4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline
PubChem CID133426385
Molecular FormulaC15H6ClF4N5S
Molecular Weight399.76 g/mol
Exact Mass399.00
IUPAC Name4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline
SMILESFc1ccc2ncnc(Sc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2c1
InChIInChI=1S/C15H6ClF4N5S/c16-10-3-7(15(18,19)20)5-25-12(10)23-24-14(25)26-13-9-4-8(17)1-2-11(9)21-6-22-13/h1-6H
InChIKeyMDGFMYJJFRTDBJ-UHFFFAOYSA-N
XLogP4.64
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline with MolForge

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Related Compounds

8-chloro-3-[(4-methylsulfanylphenyl)methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 18272926
5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 133426382
8-chloro-3-[(4-propan-2-ylphenyl)methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 7870694
8-chloro-3-prop-2-enylsulfanyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 78766306
8-chloro-3-cyclopentylsulfanyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 60617529
4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-fluoroquinazoline
CID 133427085
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-phenylethanone
CID 18283011
8-chloro-3-[(3-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 7870695
(2R)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]propanenitrile
CID 40813382
6-fluoro-4-(3-fluorophenyl)sulfanylquinazoline
CID 133429642
3-(bromomethyl)-8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 75176233
6-fluoro-4-pyridin-4-ylsulfanylquinazoline
CID 130258037

Frequently Asked Questions

What is the IUPAC name of 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline?
The IUPAC name of 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline (CID 133426385) is 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline.
What is the SMILES notation for 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline?
The canonical SMILES for 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline is Fc1ccc2ncnc(Sc3nnc4c(Cl)cc(C(F)(F)F)cn34)c2c1.
What is the InChIKey of 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline?
The InChIKey is MDGFMYJJFRTDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF4N5S/c16-10-3-7(15(18,19)20)5-25-12(10)23-24-14(25)26-13-9-4-8(17)1-2-11(9)21-6-22-13/h1-6H.
What are the key properties of 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline?
4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline has a molecular weight of 399.76 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-6-fluoroquinazoline is sourced from PubChem (CID 133426385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).