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

C11H19N3O3 — CID 114827237

IUPAC[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1COC(C)C1
InChIInChI=1S/C11H19N3O3/c1-8-5-9(7-17-8)11-13-12-10(6-15)14(11)3-4-16-2/h8-9,15H,3-7H2,1-2H3
InChIKeyUYSGULCXXXAVAP-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.31
Rot. Bonds5

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

[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 114827237) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID114827237
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1COC(C)C1
InChIInChI=1S/C11H19N3O3/c1-8-5-9(7-17-8)11-13-12-10(6-15)14(11)3-4-16-2/h8-9,15H,3-7H2,1-2H3
InChIKeyUYSGULCXXXAVAP-UHFFFAOYSA-N
XLogP0.31
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol (CID 114827237) is [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C1COC(C)C1.
What is the InChIKey of [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is UYSGULCXXXAVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-5-9(7-17-8)11-13-12-10(6-15)14(11)3-4-16-2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 241.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 114827237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).