2-aminopropanoic acid;1,3,5-triazine

C6H10N4O2 — CID 174279700

IUPAC2-aminopropanoic acid;1,3,5-triazine
SMILESCC(N)C(=O)O.c1ncncn1
InChIInChI=1S/C3H3N3.C3H7NO2/c1-4-2-6-3-5-1;1-2(4)3(5)6/h1-3H;2H,4H2,1H3,(H,5,6)
InChIKeyGFRRPUSSUCMYBK-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.71
Rot. Bonds1

About 2-aminopropanoic acid;1,3,5-triazine

2-aminopropanoic acid;1,3,5-triazine (PubChem CID 174279700) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-aminopropanoic acid;1,3,5-triazine.

Molecular Properties

Compound Name2-aminopropanoic acid;1,3,5-triazine
PubChem CID174279700
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-aminopropanoic acid;1,3,5-triazine
SMILESCC(N)C(=O)O.c1ncncn1
InChIInChI=1S/C3H3N3.C3H7NO2/c1-4-2-6-3-5-1;1-2(4)3(5)6/h1-3H;2H,4H2,1H3,(H,5,6)
InChIKeyGFRRPUSSUCMYBK-UHFFFAOYSA-N
XLogP-0.71
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;1,3,5-triazine?
The IUPAC name of 2-aminopropanoic acid;1,3,5-triazine (CID 174279700) is 2-aminopropanoic acid;1,3,5-triazine.
What is the SMILES notation for 2-aminopropanoic acid;1,3,5-triazine?
The canonical SMILES for 2-aminopropanoic acid;1,3,5-triazine is CC(N)C(=O)O.c1ncncn1.
What is the InChIKey of 2-aminopropanoic acid;1,3,5-triazine?
The InChIKey is GFRRPUSSUCMYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H7NO2/c1-4-2-6-3-5-1;1-2(4)3(5)6/h1-3H;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;1,3,5-triazine?
2-aminopropanoic acid;1,3,5-triazine has a molecular weight of 170.17 g/mol, XLogP of -0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;1,3,5-triazine is sourced from PubChem (CID 174279700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).