2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid

C5H5FN4O2 — CID 54051197

IUPAC2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncnc(F)n1
InChIInChI=1S/C5H5FN4O2/c6-4-8-2-9-5(10-4)7-1-3(11)12/h2H,1H2,(H,11,12)(H,7,8,9,10)
InChIKeyBMFJZWXKVOBYKU-UHFFFAOYSA-N
MW172.12 g/mol
LogP-0.49
Rot. Bonds3

About 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid

2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid (PubChem CID 54051197) has the molecular formula C5H5FN4O2 and a molecular weight of 172.12 g/mol. Its IUPAC name is 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid
PubChem CID54051197
Molecular FormulaC5H5FN4O2
Molecular Weight172.12 g/mol
Exact Mass172.04
IUPAC Name2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1ncnc(F)n1
InChIInChI=1S/C5H5FN4O2/c6-4-8-2-9-5(10-4)7-1-3(11)12/h2H,1H2,(H,11,12)(H,7,8,9,10)
InChIKeyBMFJZWXKVOBYKU-UHFFFAOYSA-N
XLogP-0.49
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid (CID 54051197) is 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid is O=C(O)CNc1ncnc(F)n1.
What is the InChIKey of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid?
The InChIKey is BMFJZWXKVOBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN4O2/c6-4-8-2-9-5(10-4)7-1-3(11)12/h2H,1H2,(H,11,12)(H,7,8,9,10).
What are the key properties of 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid?
2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid has a molecular weight of 172.12 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1,3,5-triazin-2-yl)amino]acetic acid is sourced from PubChem (CID 54051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).