2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol

C11H21N3O2 — CID 114686781

IUPAC2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
SMILESCCCn1nncc1C(O)C(CC)OCC
InChIInChI=1S/C11H21N3O2/c1-4-7-14-9(8-12-13-14)11(15)10(5-2)16-6-3/h8,10-11,15H,4-7H2,1-3H3
InChIKeyYWGWHBKTIIXDOM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.54
Rot. Bonds7

About 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol

2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol (PubChem CID 114686781) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
PubChem CID114686781
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
SMILESCCCn1nncc1C(O)C(CC)OCC
InChIInChI=1S/C11H21N3O2/c1-4-7-14-9(8-12-13-14)11(15)10(5-2)16-6-3/h8,10-11,15H,4-7H2,1-3H3
InChIKeyYWGWHBKTIIXDOM-UHFFFAOYSA-N
XLogP1.54
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-ol
CID 116710992
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-methylsulfonyl-1-(3-propyltriazol-4-yl)propan-1-ol
CID 115834136
1-(3-propyltriazol-4-yl)ethanamine
CID 114687009
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911
5-(4-chloropentan-2-yl)-1-propyltriazole
CID 114690638
(4-methylphenyl)-(3-propyltriazol-4-yl)methanol
CID 114684818
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol (CID 114686781) is 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol is CCCn1nncc1C(O)C(CC)OCC.
What is the InChIKey of 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol?
The InChIKey is YWGWHBKTIIXDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-7-14-9(8-12-13-14)11(15)10(5-2)16-6-3/h8,10-11,15H,4-7H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol?
2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol is sourced from PubChem (CID 114686781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).