2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid

C5H4Cl2N4O2 — CID 3489053

IUPAC2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N4O2/c6-3-9-4(7)11-5(10-3)8-1-2(12)13/h1H2,(H,12,13)(H,8,9,10,11)
InChIKeyAPJDWQBUKADMHV-UHFFFAOYSA-N
MW223.02 g/mol
LogP0.67
Rot. Bonds3

About 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid

2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid (PubChem CID 3489053) has the molecular formula C5H4Cl2N4O2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
PubChem CID3489053
Molecular FormulaC5H4Cl2N4O2
Molecular Weight223.02 g/mol
Exact Mass221.97
IUPAC Name2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C5H4Cl2N4O2/c6-3-9-4(7)11-5(10-3)8-1-2(12)13/h1H2,(H,12,13)(H,8,9,10,11)
InChIKeyAPJDWQBUKADMHV-UHFFFAOYSA-N
XLogP0.67
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid (CID 3489053) is 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid is O=C(O)CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
The InChIKey is APJDWQBUKADMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N4O2/c6-3-9-4(7)11-5(10-3)8-1-2(12)13/h1H2,(H,12,13)(H,8,9,10,11).
What are the key properties of 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid?
2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid has a molecular weight of 223.02 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]acetic acid is sourced from PubChem (CID 3489053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).