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

C14H19N3O2 — CID 115395953

IUPAC[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-19-10-9-17-13(15-16-14(17)11-18)8-7-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3
InChIKeyLIHAEJSEMIDWTL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.20
Rot. Bonds7

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

[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115395953) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115395953
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1CCc1ccccc1
InChIInChI=1S/C14H19N3O2/c1-19-10-9-17-13(15-16-14(17)11-18)8-7-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3
InChIKeyLIHAEJSEMIDWTL-UHFFFAOYSA-N
XLogP1.20
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol (CID 115395953) is [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1CCc1ccccc1.
What is the InChIKey of [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is LIHAEJSEMIDWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-10-9-17-13(15-16-14(17)11-18)8-7-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3.
What are the key properties of [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).