4-(hydroxyamino)pyrimidine-5-carboxylic acid

C5H5N3O3 — CID 127018723

IUPAC4-(hydroxyamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NO
InChIInChI=1S/C5H5N3O3/c9-5(10)3-1-6-2-7-4(3)8-11/h1-2,11H,(H,9,10)(H,6,7,8)
InChIKeyACRMBTAQXNWKSX-UHFFFAOYSA-N
MW155.11 g/mol
LogP-0.02
Rot. Bonds2

About 4-(hydroxyamino)pyrimidine-5-carboxylic acid

4-(hydroxyamino)pyrimidine-5-carboxylic acid (PubChem CID 127018723) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-(hydroxyamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(hydroxyamino)pyrimidine-5-carboxylic acid
PubChem CID127018723
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-(hydroxyamino)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1NO
InChIInChI=1S/C5H5N3O3/c9-5(10)3-1-6-2-7-4(3)8-11/h1-2,11H,(H,9,10)(H,6,7,8)
InChIKeyACRMBTAQXNWKSX-UHFFFAOYSA-N
XLogP-0.02
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(hydroxyamino)pyrimidine-5-carboxylic acid (CID 127018723) is 4-(hydroxyamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(hydroxyamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(hydroxyamino)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1NO.
What is the InChIKey of 4-(hydroxyamino)pyrimidine-5-carboxylic acid?
The InChIKey is ACRMBTAQXNWKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c9-5(10)3-1-6-2-7-4(3)8-11/h1-2,11H,(H,9,10)(H,6,7,8).
What are the key properties of 4-(hydroxyamino)pyrimidine-5-carboxylic acid?
4-(hydroxyamino)pyrimidine-5-carboxylic acid has a molecular weight of 155.11 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 127018723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).