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

C5H6N4O2S — CID 25220384

IUPAC2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid
SMILESNc1ncnc(SCC(=O)O)n1
InChIInChI=1S/C5H6N4O2S/c6-4-7-2-8-5(9-4)12-1-3(10)11/h2H,1H2,(H,10,11)(H2,6,7,8,9)
InChIKeyFUMGCWBUHRJMSP-UHFFFAOYSA-N
MW186.20 g/mol
LogP-0.37
Rot. Bonds3

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

2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid (PubChem CID 25220384) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid
PubChem CID25220384
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Name2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid
SMILESNc1ncnc(SCC(=O)O)n1
InChIInChI=1S/C5H6N4O2S/c6-4-7-2-8-5(9-4)12-1-3(10)11/h2H,1H2,(H,10,11)(H2,6,7,8,9)
InChIKeyFUMGCWBUHRJMSP-UHFFFAOYSA-N
XLogP-0.37
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The IUPAC name of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid (CID 25220384) is 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid.
What is the SMILES notation for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The canonical SMILES for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid is Nc1ncnc(SCC(=O)O)n1.
What is the InChIKey of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
The InChIKey is FUMGCWBUHRJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2S/c6-4-7-2-8-5(9-4)12-1-3(10)11/h2H,1H2,(H,10,11)(H2,6,7,8,9).
What are the key properties of 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid?
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid has a molecular weight of 186.20 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetic acid is sourced from PubChem (CID 25220384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).