2-amino-3-(1,2,4-triazol-1-yl)propanoic acid

C5H8N4O2 — CID 5216290

IUPAC2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESNC(Cn1cncn1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)
InChIKeyXVWFTOJHOHJIMQ-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.31
Rot. Bonds3

About 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid

2-amino-3-(1,2,4-triazol-1-yl)propanoic acid (PubChem CID 5216290) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
PubChem CID5216290
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-amino-3-(1,2,4-triazol-1-yl)propanoic acid
SMILESNC(Cn1cncn1)C(=O)O
InChIInChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)
InChIKeyXVWFTOJHOHJIMQ-UHFFFAOYSA-N
XLogP-1.31
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid (CID 5216290) is 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid is NC(Cn1cncn1)C(=O)O.
What is the InChIKey of 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
The InChIKey is XVWFTOJHOHJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11).
What are the key properties of 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid?
2-amino-3-(1,2,4-triazol-1-yl)propanoic acid has a molecular weight of 156.15 g/mol, XLogP of -1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,2,4-triazol-1-yl)propanoic acid is sourced from PubChem (CID 5216290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).