2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol

C12H21N3O3 — CID 72860126

IUPAC2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCOCCc1nc(C2CCOCC2)nn1CCO
InChIInChI=1S/C12H21N3O3/c1-17-7-4-11-13-12(14-15(11)5-6-16)10-2-8-18-9-3-10/h10,16H,2-9H2,1H3
InChIKeyZUZJAOBVGNLDDX-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.35
Rot. Bonds6

About 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol

2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 72860126) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID72860126
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCOCCc1nc(C2CCOCC2)nn1CCO
InChIInChI=1S/C12H21N3O3/c1-17-7-4-11-13-12(14-15(11)5-6-16)10-2-8-18-9-3-10/h10,16H,2-9H2,1H3
InChIKeyZUZJAOBVGNLDDX-UHFFFAOYSA-N
XLogP0.35
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,4-dioxan-2-ylmethyl)-5-(1-methylcyclopropyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74245306
1-(1,4-dioxan-2-ylmethyl)-5-(methoxymethyl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74247363
2-[3-cyclopentyl-5-(tetrahydrofuran-3-yl)-1H-1,2,4-triazol-1-yl]ethanol
CID 72867529
[4-[Methyl-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]amino]oxan-4-yl]methanol
CID 99832193
{1-[3-(tetrahydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]cyclopropyl}methanol
CID 74235804
[1-(5-Ethyl-2-methyl-1,2,4-triazol-3-yl)piperidin-4-yl]methanol
CID 66693570
5-(Oxan-4-yl)-1-propan-2-yl-1,2,4-triazole
CID 67734820
1-Methyl-5-(oxan-4-yl)-1,2,4-triazole
CID 67746869
Ethane;1-methyl-5-(oxan-4-yl)-1,2,4-triazole
CID 143941238
1,3-Dimethyl-5-(oxan-4-yl)-1,2,4-triazole
CID 146512062
3,4-Dimethyl-5-(oxan-4-yl)-1,2,4-triazole
CID 163912660
5-Ethyl-1-methyl-3-(oxan-4-yl)-1,2,4-triazole
CID 170573332

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol (CID 72860126) is 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol is COCCc1nc(C2CCOCC2)nn1CCO.
What is the InChIKey of 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is ZUZJAOBVGNLDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-17-7-4-11-13-12(14-15(11)5-6-16)10-2-8-18-9-3-10/h10,16H,2-9H2,1H3.
What are the key properties of 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol?
2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 255.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethyl)-3-(oxan-4-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72860126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).