5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine

C8H10F2N6S — CID 60733234

IUPAC5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1nccn1C(F)F
InChIInChI=1S/C8H10F2N6S/c1-15-7(11)13-14-8(15)17-4-5-12-2-3-16(5)6(9)10/h2-3,6H,4H2,1H3,(H2,11,13)
InChIKeyCVYYDEYLDWHERC-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.28
Rot. Bonds4

About 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine

5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 60733234) has the molecular formula C8H10F2N6S and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID60733234
Molecular FormulaC8H10F2N6S
Molecular Weight260.27 g/mol
Exact Mass260.07
IUPAC Name5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1nccn1C(F)F
InChIInChI=1S/C8H10F2N6S/c1-15-7(11)13-14-8(15)17-4-5-12-2-3-16(5)6(9)10/h2-3,6H,4H2,1H3,(H2,11,13)
InChIKeyCVYYDEYLDWHERC-UHFFFAOYSA-N
XLogP1.28
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine (CID 60733234) is 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCc1nccn1C(F)F.
What is the InChIKey of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is CVYYDEYLDWHERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6S/c1-15-7(11)13-14-8(15)17-4-5-12-2-3-16(5)6(9)10/h2-3,6H,4H2,1H3,(H2,11,13).
What are the key properties of 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 260.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 60733234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).