2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C10H8F2N6S — CID 24578585

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)n1ccnc1CSc1nc2ncccn2n1
InChIInChI=1S/C10H8F2N6S/c11-8(12)17-5-3-13-7(17)6-19-10-15-9-14-2-1-4-18(9)16-10/h1-5,8H,6H2
InChIKeyFEBUBKUOXVJUMR-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.01
Rot. Bonds4

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 24578585) has the molecular formula C10H8F2N6S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID24578585
Molecular FormulaC10H8F2N6S
Molecular Weight282.28 g/mol
Exact Mass282.05
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)n1ccnc1CSc1nc2ncccn2n1
InChIInChI=1S/C10H8F2N6S/c11-8(12)17-5-3-13-7(17)6-19-10-15-9-14-2-1-4-18(9)16-10/h1-5,8H,6H2
InChIKeyFEBUBKUOXVJUMR-UHFFFAOYSA-N
XLogP2.01
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 24578585) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)n1ccnc1CSc1nc2ncccn2n1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is FEBUBKUOXVJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N6S/c11-8(12)17-5-3-13-7(17)6-19-10-15-9-14-2-1-4-18(9)16-10/h1-5,8H,6H2.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 282.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 24578585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).