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

C9H17N3O4S — CID 113422582

IUPAC[4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C)S(C)(=O)=O
InChIInChI=1S/C9H17N3O4S/c1-7(17(3,14)15)9-11-10-8(6-13)12(9)4-5-16-2/h7,13H,4-6H2,1-3H3
InChIKeyDQZNAGQDILAKAG-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.48
Rot. Bonds6

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

[4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 113422582) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID113422582
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC Name[4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C)S(C)(=O)=O
InChIInChI=1S/C9H17N3O4S/c1-7(17(3,14)15)9-11-10-8(6-13)12(9)4-5-16-2/h7,13H,4-6H2,1-3H3
InChIKeyDQZNAGQDILAKAG-UHFFFAOYSA-N
XLogP-0.48
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (CID 113422582) is [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C(C)S(C)(=O)=O.
What is the InChIKey of [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is DQZNAGQDILAKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-7(17(3,14)15)9-11-10-8(6-13)12(9)4-5-16-2/h7,13H,4-6H2,1-3H3.
What are the key properties of [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 263.32 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113422582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).