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

C14H25N3O2 — CID 107048191

IUPAC1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCOC1(C(O)Cc2cn(C)nn2)CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-3-19-14(8-6-4-5-7-9-14)13(18)10-12-11-17(2)16-15-12/h11,13,18H,3-10H2,1-2H3
InChIKeyRHRSIYSQPJLMOL-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.85
Rot. Bonds5

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

1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107048191) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107048191
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCCOC1(C(O)Cc2cn(C)nn2)CCCCCC1
InChIInChI=1S/C14H25N3O2/c1-3-19-14(8-6-4-5-7-9-14)13(18)10-12-11-17(2)16-15-12/h11,13,18H,3-10H2,1-2H3
InChIKeyRHRSIYSQPJLMOL-UHFFFAOYSA-N
XLogP1.85
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-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-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
CID 107048234
1-(1-ethoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116756164
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756067
2-(2-amino-4-pyridinyl)-1-(1-ethoxycycloheptyl)ethanol
CID 116756060
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
1-(1-methylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063793
2-(2-chlorophenyl)-1-(1-ethoxycyclohexyl)ethanol
CID 116753633
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753008
2-(4-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753085
1-(1-methyltriazol-4-yl)pentan-2-ol
CID 107045999

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107048191) is 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol is CCOC1(C(O)Cc2cn(C)nn2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is RHRSIYSQPJLMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-19-14(8-6-4-5-7-9-14)13(18)10-12-11-17(2)16-15-12/h11,13,18H,3-10H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 267.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107048191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).