2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid

C9H9N5O2 — CID 121214164

IUPAC2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
SMILESNc1cc(-c2cnccn2)nn1CC(=O)O
InChIInChI=1S/C9H9N5O2/c10-8-3-6(7-4-11-1-2-12-7)13-14(8)5-9(15)16/h1-4H,5,10H2,(H,15,16)
InChIKeyOFFLCXLPKLSOBC-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.01
Rot. Bonds3

About 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid

2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid (PubChem CID 121214164) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
PubChem CID121214164
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid
SMILESNc1cc(-c2cnccn2)nn1CC(=O)O
InChIInChI=1S/C9H9N5O2/c10-8-3-6(7-4-11-1-2-12-7)13-14(8)5-9(15)16/h1-4H,5,10H2,(H,15,16)
InChIKeyOFFLCXLPKLSOBC-UHFFFAOYSA-N
XLogP0.01
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid (CID 121214164) is 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid is Nc1cc(-c2cnccn2)nn1CC(=O)O.
What is the InChIKey of 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
The InChIKey is OFFLCXLPKLSOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c10-8-3-6(7-4-11-1-2-12-7)13-14(8)5-9(15)16/h1-4H,5,10H2,(H,15,16).
What are the key properties of 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid?
2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid has a molecular weight of 219.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-pyrazin-2-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 121214164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).