5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole

C10H11F2N5S — CID 18170066

IUPAC5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)n1ccnc1CSc1n[nH]c(C2CC2)n1
InChIInChI=1S/C10H11F2N5S/c11-9(12)17-4-3-13-7(17)5-18-10-14-8(15-16-10)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,14,15,16)
InChIKeyLKYUPXLNNGYBFI-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.57
Rot. Bonds5

About 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole

5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole (PubChem CID 18170066) has the molecular formula C10H11F2N5S and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
PubChem CID18170066
Molecular FormulaC10H11F2N5S
Molecular Weight271.30 g/mol
Exact Mass271.07
IUPAC Name5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC(F)n1ccnc1CSc1n[nH]c(C2CC2)n1
InChIInChI=1S/C10H11F2N5S/c11-9(12)17-4-3-13-7(17)5-18-10-14-8(15-16-10)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,14,15,16)
InChIKeyLKYUPXLNNGYBFI-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole (CID 18170066) is 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole is FC(F)n1ccnc1CSc1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
The InChIKey is LKYUPXLNNGYBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5S/c11-9(12)17-4-3-13-7(17)5-18-10-14-8(15-16-10)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,14,15,16).
What are the key properties of 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole?
5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole has a molecular weight of 271.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 18170066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).