[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate

C9H15N3O3 — CID 123600908

IUPAC[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate
SMILESCCc1cn(C(CO)COC(C)=O)nn1
InChIInChI=1S/C9H15N3O3/c1-3-8-4-12(11-10-8)9(5-13)6-15-7(2)14/h4,9,13H,3,5-6H2,1-2H3
InChIKeyVOWMXBBZVVPACT-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.06
Rot. Bonds5

About [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate

[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate (PubChem CID 123600908) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate.

Molecular Properties

Compound Name[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate
PubChem CID123600908
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate
SMILESCCc1cn(C(CO)COC(C)=O)nn1
InChIInChI=1S/C9H15N3O3/c1-3-8-4-12(11-10-8)9(5-13)6-15-7(2)14/h4,9,13H,3,5-6H2,1-2H3
InChIKeyVOWMXBBZVVPACT-UHFFFAOYSA-N
XLogP-0.06
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-pentan-3-yltriazol-4-yl)acetic acid
CID 107461337
1-butan-2-yl-4-ethyltriazole
CID 138568192
2-[4-(2-hydroxyethyl)triazol-1-yl]butanamide
CID 62901797
2-(4-ethyltriazol-1-yl)acetic acid
CID 67477110
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
(1-methyltriazol-4-yl)methyl acetate
CID 89224817
methyl (2R,3S)-2-amino-3-[4-(hydroxymethyl)triazol-1-yl]butanoate
CID 99737592
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
4-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethoxy]butan-2-one
CID 167077241
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
4-ethyl-1-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]triazole
CID 130350688
1-[(2S)-1-hydroxy-3-octadecoxypropan-2-yl]triazole-4-carbonitrile
CID 163584838

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate?
The IUPAC name of [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate (CID 123600908) is [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate.
What is the SMILES notation for [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate?
The canonical SMILES for [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate is CCc1cn(C(CO)COC(C)=O)nn1.
What is the InChIKey of [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate?
The InChIKey is VOWMXBBZVVPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-8-4-12(11-10-8)9(5-13)6-15-7(2)14/h4,9,13H,3,5-6H2,1-2H3.
What are the key properties of [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate?
[2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate has a molecular weight of 213.24 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyltriazol-1-yl)-3-hydroxypropyl] acetate is sourced from PubChem (CID 123600908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).