2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol

C10H17N3O2 — CID 107045995

IUPAC2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCOCC2)nn1
InChIInChI=1S/C10H17N3O2/c1-13-7-9(11-12-13)6-10(14)8-2-4-15-5-3-8/h7-8,10,14H,2-6H2,1H3
InChIKeyXXXCIXFEZZKLGT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.15
Rot. Bonds3

About 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol

2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol (PubChem CID 107045995) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
PubChem CID107045995
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCOCC2)nn1
InChIInChI=1S/C10H17N3O2/c1-13-7-9(11-12-13)6-10(14)8-2-4-15-5-3-8/h7-8,10,14H,2-6H2,1H3
InChIKeyXXXCIXFEZZKLGT-UHFFFAOYSA-N
XLogP0.15
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-(4-methylcyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046119
2-(1-methyltriazol-4-yl)-1-(oxolan-3-yl)ethanamine
CID 107049452
2-cyclopentyl-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107057890
2-cyclopentyl-3-(1-methyltriazol-4-yl)propanoic acid
CID 107045186
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
1-(1,1-dioxothian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065689
1-(cyclopropylamino)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107057618
1-(1,4-dithian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107047995
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
tert-butyl 3-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]morpholine-4-carboxylate
CID 107048261

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol (CID 107045995) is 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol is Cn1cc(CC(O)C2CCOCC2)nn1.
What is the InChIKey of 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol?
The InChIKey is XXXCIXFEZZKLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-7-9(11-12-13)6-10(14)8-2-4-15-5-3-8/h7-8,10,14H,2-6H2,1H3.
What are the key properties of 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol?
2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltriazol-4-yl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 107045995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).