[1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol

C10H10F3N5OS — CID 132502651

IUPAC[1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCSc1nc(Cn2cc(CO)nn2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5OS/c1-20-9-14-6(2-8(15-9)10(11,12)13)3-18-4-7(5-19)16-17-18/h2,4,19H,3,5H2,1H3
InChIKeyNVKCWZJSOXDAJF-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.35
Rot. Bonds4

About [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol

[1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol (PubChem CID 132502651) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol
PubChem CID132502651
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC Name[1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol
SMILESCSc1nc(Cn2cc(CO)nn2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5OS/c1-20-9-14-6(2-8(15-9)10(11,12)13)3-18-4-7(5-19)16-17-18/h2,4,19H,3,5H2,1H3
InChIKeyNVKCWZJSOXDAJF-UHFFFAOYSA-N
XLogP1.35
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol (CID 132502651) is [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol is CSc1nc(Cn2cc(CO)nn2)cc(C(F)(F)F)n1.
What is the InChIKey of [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol?
The InChIKey is NVKCWZJSOXDAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c1-20-9-14-6(2-8(15-9)10(11,12)13)3-18-4-7(5-19)16-17-18/h2,4,19H,3,5H2,1H3.
What are the key properties of [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol?
[1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol has a molecular weight of 305.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-yl]methyl]triazol-4-yl]methanol is sourced from PubChem (CID 132502651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).