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

C10H17N3O3S — CID 113301556

IUPAC[4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(c1nnc(CO)n1C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,17(3,15)16)9-12-11-8(6-14)13(9)7-4-5-7/h7,14H,4-6H2,1-3H3
InChIKeyLNGLFOXTNHYRLE-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.38
Rot. Bonds4

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

[4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 113301556) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID113301556
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name[4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCC(C)(c1nnc(CO)n1C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H17N3O3S/c1-10(2,17(3,15)16)9-12-11-8(6-14)13(9)7-4-5-7/h7,14H,4-6H2,1-3H3
InChIKeyLNGLFOXTNHYRLE-UHFFFAOYSA-N
XLogP0.38
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 113301556) is [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol is CC(C)(c1nnc(CO)n1C1CC1)S(C)(=O)=O.
What is the InChIKey of [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is LNGLFOXTNHYRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-10(2,17(3,15)16)9-12-11-8(6-14)13(9)7-4-5-7/h7,14H,4-6H2,1-3H3.
What are the key properties of [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 259.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-methylsulfonylpropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).