2-[2-(triazol-1-yl)ethylamino]acetic acid

C6H10N4O2 — CID 89395947

IUPAC2-[2-(triazol-1-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCn1ccnn1
InChIInChI=1S/C6H10N4O2/c11-6(12)5-7-1-3-10-4-2-8-9-10/h2,4,7H,1,3,5H2,(H,11,12)
InChIKeyJTFUUKCTRUDLPG-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.05
Rot. Bonds5

About 2-[2-(triazol-1-yl)ethylamino]acetic acid

2-[2-(triazol-1-yl)ethylamino]acetic acid (PubChem CID 89395947) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-[2-(triazol-1-yl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(triazol-1-yl)ethylamino]acetic acid
PubChem CID89395947
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-[2-(triazol-1-yl)ethylamino]acetic acid
SMILESO=C(O)CNCCn1ccnn1
InChIInChI=1S/C6H10N4O2/c11-6(12)5-7-1-3-10-4-2-8-9-10/h2,4,7H,1,3,5H2,(H,11,12)
InChIKeyJTFUUKCTRUDLPG-UHFFFAOYSA-N
XLogP-1.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(triazol-1-yl)ethylamino]acetic acid?
The IUPAC name of 2-[2-(triazol-1-yl)ethylamino]acetic acid (CID 89395947) is 2-[2-(triazol-1-yl)ethylamino]acetic acid.
What is the SMILES notation for 2-[2-(triazol-1-yl)ethylamino]acetic acid?
The canonical SMILES for 2-[2-(triazol-1-yl)ethylamino]acetic acid is O=C(O)CNCCn1ccnn1.
What is the InChIKey of 2-[2-(triazol-1-yl)ethylamino]acetic acid?
The InChIKey is JTFUUKCTRUDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-6(12)5-7-1-3-10-4-2-8-9-10/h2,4,7H,1,3,5H2,(H,11,12).
What are the key properties of 2-[2-(triazol-1-yl)ethylamino]acetic acid?
2-[2-(triazol-1-yl)ethylamino]acetic acid has a molecular weight of 170.17 g/mol, XLogP of -1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(triazol-1-yl)ethylamino]acetic acid is sourced from PubChem (CID 89395947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).