2-methoxy-1-(3-propyltriazol-4-yl)ethanol

C8H15N3O2 — CID 114686354

IUPAC2-methoxy-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)COC
InChIInChI=1S/C8H15N3O2/c1-3-4-11-7(5-9-10-11)8(12)6-13-2/h5,8,12H,3-4,6H2,1-2H3
InChIKeyVHRUJGRFNNNIJS-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.37
Rot. Bonds5

About 2-methoxy-1-(3-propyltriazol-4-yl)ethanol

2-methoxy-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114686354) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-methoxy-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114686354
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-methoxy-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)COC
InChIInChI=1S/C8H15N3O2/c1-3-4-11-7(5-9-10-11)8(12)6-13-2/h5,8,12H,3-4,6H2,1-2H3
InChIKeyVHRUJGRFNNNIJS-UHFFFAOYSA-N
XLogP0.37
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol
CID 165459336
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol
CID 165452402
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
(1S)-2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanol
CID 165457787
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
CID 114686781
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-methoxy-1-(3-propyltriazol-4-yl)ethanol (CID 114686354) is 2-methoxy-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-methoxy-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-methoxy-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)COC.
What is the InChIKey of 2-methoxy-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is VHRUJGRFNNNIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-4-11-7(5-9-10-11)8(12)6-13-2/h5,8,12H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-propyltriazol-4-yl)ethanol?
2-methoxy-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 185.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).