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

C6H9N3O2 — CID 67477111

IUPAC2-(1-ethyltriazol-4-yl)acetic acid
SMILESCCn1cc(CC(=O)O)nn1
InChIInChI=1S/C6H9N3O2/c1-2-9-4-5(7-8-9)3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyCFZJGPHYYVSSKR-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.07
Rot. Bonds3

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

2-(1-ethyltriazol-4-yl)acetic acid (PubChem CID 67477111) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)acetic acid
PubChem CID67477111
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(1-ethyltriazol-4-yl)acetic acid
SMILESCCn1cc(CC(=O)O)nn1
InChIInChI=1S/C6H9N3O2/c1-2-9-4-5(7-8-9)3-6(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyCFZJGPHYYVSSKR-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-[1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]acetic acid
CID 59680732
4-(2-Hydroxyethyl)-1H-1,2,3-triazole-1-acetic acid
CID 80703719
Ethyl 2-(1-pentyltriazol-4-yl)acetate
CID 70682319
2-(1-Pentyltriazol-4-yl)acetic acid
CID 70690726
Ethyl 2-(1-dodecyltriazol-4-yl)acetate
CID 70692870
2-(1-Dodecyltriazol-4-yl)acetic acid
CID 70694908
2-(1-Undecyltriazol-4-yl)acetic acid
CID 71723587
methyl 2-[4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl]acetate
CID 71756732
3-(4-tert-butyl-1H-1,2,3-triazol-1-yl)propanoic acid
CID 115021031
2-(1-ethyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132300818
2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride
CID 132344527
lithium 2,2-difluoro-2-(1-methyl-1H-1,2,3-triazol-5-yl)acetate
CID 137964630

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)acetic acid?
The IUPAC name of 2-(1-ethyltriazol-4-yl)acetic acid (CID 67477111) is 2-(1-ethyltriazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)acetic acid is CCn1cc(CC(=O)O)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)acetic acid?
The InChIKey is CFZJGPHYYVSSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-2-9-4-5(7-8-9)3-6(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(1-ethyltriazol-4-yl)acetic acid?
2-(1-ethyltriazol-4-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-(1-ethyltriazol-4-yl)acetic acid is sourced from PubChem (CID 67477111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).