[5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

C10H19N3O3S — CID 113301497

IUPAC[5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19N3O3S/c1-7(2)13-8(6-14)11-12-9(13)10(3,4)17(5,15)16/h7,14H,6H2,1-5H3
InChIKeyXXRXSJWWMRPLID-UHFFFAOYSA-N
MW261.35 g/mol
LogP0.63
Rot. Bonds4

About [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol

[5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (PubChem CID 113301497) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
PubChem CID113301497
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name[5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)n1c(CO)nnc1C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H19N3O3S/c1-7(2)13-8(6-14)11-12-9(13)10(3,4)17(5,15)16/h7,14H,6H2,1-5H3
InChIKeyXXRXSJWWMRPLID-UHFFFAOYSA-N
XLogP0.63
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol (CID 113301497) is [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is CC(C)n1c(CO)nnc1C(C)(C)S(C)(=O)=O.
What is the InChIKey of [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
The InChIKey is XXRXSJWWMRPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-7(2)13-8(6-14)11-12-9(13)10(3,4)17(5,15)16/h7,14H,6H2,1-5H3.
What are the key properties of [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol?
[5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol has a molecular weight of 261.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylsulfonylpropan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).