2-(4-ethyltriazol-1-yl)acetic acid

C6H9N3O2 — CID 67477110

IUPAC2-(4-ethyltriazol-1-yl)acetic acid
SMILESCCc1cn(CC(=O)O)nn1
InChIInChI=1S/C6H9N3O2/c1-2-5-3-9(8-7-5)4-6(10)11/h3H,2,4H2,1H3,(H,10,11)
InChIKeyTWORSJYXXPOJBG-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.07
Rot. Bonds3

About 2-(4-ethyltriazol-1-yl)acetic acid

2-(4-ethyltriazol-1-yl)acetic acid (PubChem CID 67477110) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(4-ethyltriazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-ethyltriazol-1-yl)acetic acid
PubChem CID67477110
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(4-ethyltriazol-1-yl)acetic acid
SMILESCCc1cn(CC(=O)O)nn1
InChIInChI=1S/C6H9N3O2/c1-2-5-3-9(8-7-5)4-6(10)11/h3H,2,4H2,1H3,(H,10,11)
InChIKeyTWORSJYXXPOJBG-UHFFFAOYSA-N
XLogP-0.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dihydropyrrol-1-ylmethyl)triazol-1-yl]acetic acid
CID 115458808
bis(1,4-diethyltriazole);ethane
CID 160569546
2-[4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]triazol-1-yl]acetic acid
CID 113313884
4-ethyl-1-(fluoromethyl)triazole
CID 89457557
2-[4-[(3-methyl-2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]acetic acid
CID 113313885
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
2-[4-[[[2-oxo-2-(propylamino)ethyl]carbamoylamino]methyl]triazol-1-yl]acetic acid
CID 115458538
2-[4-[[(4-ethyl-5-propylthiophene-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 120698479
2-[4-[(2-methylsulfonylethylsulfonylamino)methyl]triazol-1-yl]acetic acid
CID 115457762
2-[4-[[(3-methylpyrazin-2-yl)amino]methyl]triazol-1-yl]acetic acid
CID 83065169
2-[4-[[2-(aminomethyl)pentanoylamino]methyl]triazol-1-yl]acetic acid
CID 115458155
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyltriazol-1-yl)acetic acid?
The IUPAC name of 2-(4-ethyltriazol-1-yl)acetic acid (CID 67477110) is 2-(4-ethyltriazol-1-yl)acetic acid.
What is the SMILES notation for 2-(4-ethyltriazol-1-yl)acetic acid?
The canonical SMILES for 2-(4-ethyltriazol-1-yl)acetic acid is CCc1cn(CC(=O)O)nn1.
What is the InChIKey of 2-(4-ethyltriazol-1-yl)acetic acid?
The InChIKey is TWORSJYXXPOJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-5-3-9(8-7-5)4-6(10)11/h3H,2,4H2,1H3,(H,10,11).
What are the key properties of 2-(4-ethyltriazol-1-yl)acetic acid?
2-(4-ethyltriazol-1-yl)acetic acid has a molecular weight of 155.16 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyltriazol-1-yl)acetic acid is sourced from PubChem (CID 67477110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).