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

C9H15N3O3S — CID 104523016

IUPAC[4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1C1CC1)S(C)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-6(16(2,14)15)9-11-10-8(5-13)12(9)7-3-4-7/h6-7,13H,3-5H2,1-2H3
InChIKeyNLGSZOQXJVQZMW-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.21
Rot. Bonds4

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

[4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 104523016) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID104523016
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name[4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1C1CC1)S(C)(=O)=O
InChIInChI=1S/C9H15N3O3S/c1-6(16(2,14)15)9-11-10-8(5-13)12(9)7-3-4-7/h6-7,13H,3-5H2,1-2H3
InChIKeyNLGSZOQXJVQZMW-UHFFFAOYSA-N
XLogP0.21
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (CID 104523016) is [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is CC(c1nnc(CO)n1C1CC1)S(C)(=O)=O.
What is the InChIKey of [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is NLGSZOQXJVQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c1-6(16(2,14)15)9-11-10-8(5-13)12(9)7-3-4-7/h6-7,13H,3-5H2,1-2H3.
What are the key properties of [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
[4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104523016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).