2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid

C6H8N4O3 — CID 28789448

IUPAC2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1cncn1
InChIInChI=1S/C6H8N4O3/c11-5(8-1-6(12)13)2-10-4-7-3-9-10/h3-4H,1-2H2,(H,8,11)(H,12,13)
InChIKeyJUKLRYHVSKOSMA-UHFFFAOYSA-N
MW184.16 g/mol
LogP-1.52
Rot. Bonds4

About 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid

2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid (PubChem CID 28789448) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid
PubChem CID28789448
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Name2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1cncn1
InChIInChI=1S/C6H8N4O3/c11-5(8-1-6(12)13)2-10-4-7-3-9-10/h3-4H,1-2H2,(H,8,11)(H,12,13)
InChIKeyJUKLRYHVSKOSMA-UHFFFAOYSA-N
XLogP-1.52
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-1.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid (CID 28789448) is 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1cncn1.
What is the InChIKey of 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid?
The InChIKey is JUKLRYHVSKOSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c11-5(8-1-6(12)13)2-10-4-7-3-9-10/h3-4H,1-2H2,(H,8,11)(H,12,13).
What are the key properties of 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid?
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid has a molecular weight of 184.16 g/mol, XLogP of -1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 28789448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).