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

C9H17N3O2 — CID 114686533

IUPAC2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)COCC
InChIInChI=1S/C9H17N3O2/c1-3-5-12-8(6-10-11-12)9(13)7-14-4-2/h6,9,13H,3-5,7H2,1-2H3
InChIKeyDTSQPWSMCRJQAE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.76
Rot. Bonds6

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

2-ethoxy-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114686533) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114686533
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)COCC
InChIInChI=1S/C9H17N3O2/c1-3-5-12-8(6-10-11-12)9(13)7-14-4-2/h6,9,13H,3-5,7H2,1-2H3
InChIKeyDTSQPWSMCRJQAE-UHFFFAOYSA-N
XLogP0.76
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
2-ethoxy-1-(3-propyltriazol-4-yl)butan-1-ol
CID 114686781
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
(1S)-1-[3-(2-fluoroethyl)triazol-4-yl]-2-methoxyethanol
CID 165459336
2-cyclopentyl-1-(3-propyltriazol-4-yl)ethanol
CID 115834151
4-(3-propyltriazol-4-yl)pentan-2-ol
CID 114690551
3-[5-(1-hydroxy-2-methoxyethyl)triazol-1-yl]propan-1-ol
CID 165452402
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
2-methyl-1-(3-propyltriazol-4-yl)pentan-1-ol
CID 114684988
(1S)-2-methoxy-1-(3-propyltriazol-4-yl)ethanamine
CID 165459865
2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol (CID 114686533) is 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)COCC.
What is the InChIKey of 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is DTSQPWSMCRJQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-5-12-8(6-10-11-12)9(13)7-14-4-2/h6,9,13H,3-5,7H2,1-2H3.
What are the key properties of 2-ethoxy-1-(3-propyltriazol-4-yl)ethanol?
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 199.25 g/mol, XLogP of 0.76, 6 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)ethanol is sourced from PubChem (CID 114686533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).