4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid

C9H11N7O2 — CID 135372543

IUPAC4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid
SMILES[N-]=[N+]=Nc1cnc(N2CCNC(C(=O)O)C2)nc1
InChIInChI=1S/C9H11N7O2/c10-15-14-6-3-12-9(13-4-6)16-2-1-11-7(5-16)8(17)18/h3-4,7,11H,1-2,5H2,(H,17,18)
InChIKeyHZEIFYQQTQTUKA-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.28
Rot. Bonds3

About 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid

4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid (PubChem CID 135372543) has the molecular formula C9H11N7O2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid
PubChem CID135372543
Molecular FormulaC9H11N7O2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid
SMILES[N-]=[N+]=Nc1cnc(N2CCNC(C(=O)O)C2)nc1
InChIInChI=1S/C9H11N7O2/c10-15-14-6-3-12-9(13-4-6)16-2-1-11-7(5-16)8(17)18/h3-4,7,11H,1-2,5H2,(H,17,18)
InChIKeyHZEIFYQQTQTUKA-UHFFFAOYSA-N
XLogP0.28
TPSA127.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid (CID 135372543) is 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid is [N-]=[N+]=Nc1cnc(N2CCNC(C(=O)O)C2)nc1.
What is the InChIKey of 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid?
The InChIKey is HZEIFYQQTQTUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O2/c10-15-14-6-3-12-9(13-4-6)16-2-1-11-7(5-16)8(17)18/h3-4,7,11H,1-2,5H2,(H,17,18).
What are the key properties of 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid?
4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azidopyrimidin-2-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 135372543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).