2-hydrazinylpyrimidine-4-carboxylic acid

C5H6N4O2 — CID 83672127

IUPAC2-hydrazinylpyrimidine-4-carboxylic acid
SMILESNNc1nccc(C(=O)O)n1
InChIInChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)
InChIKeyAVMDBCMWSSIKTF-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.54
Rot. Bonds2

About 2-hydrazinylpyrimidine-4-carboxylic acid

2-hydrazinylpyrimidine-4-carboxylic acid (PubChem CID 83672127) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-hydrazinylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-hydrazinylpyrimidine-4-carboxylic acid
PubChem CID83672127
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name2-hydrazinylpyrimidine-4-carboxylic acid
SMILESNNc1nccc(C(=O)O)n1
InChIInChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9)
InChIKeyAVMDBCMWSSIKTF-UHFFFAOYSA-N
XLogP-0.54
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-hydrazinylpyrimidine-4-carboxylic acid (CID 83672127) is 2-hydrazinylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-hydrazinylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-hydrazinylpyrimidine-4-carboxylic acid is NNc1nccc(C(=O)O)n1.
What is the InChIKey of 2-hydrazinylpyrimidine-4-carboxylic acid?
The InChIKey is AVMDBCMWSSIKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-9-5-7-2-1-3(8-5)4(10)11/h1-2H,6H2,(H,10,11)(H,7,8,9).
What are the key properties of 2-hydrazinylpyrimidine-4-carboxylic acid?
2-hydrazinylpyrimidine-4-carboxylic acid has a molecular weight of 154.13 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83672127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).