N-hydroxypyrimidine-2-carboxamide

C5H5N3O2 — CID 22341329

IUPACN-hydroxypyrimidine-2-carboxamide
SMILESO=C(NO)c1ncccn1
InChIInChI=1S/C5H5N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-3,10H,(H,8,9)
InChIKeyIZTVIIHVHRHUPA-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.40
Rot. Bonds1

About N-hydroxypyrimidine-2-carboxamide

N-hydroxypyrimidine-2-carboxamide (PubChem CID 22341329) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is N-hydroxypyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxypyrimidine-2-carboxamide
PubChem CID22341329
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC NameN-hydroxypyrimidine-2-carboxamide
SMILESO=C(NO)c1ncccn1
InChIInChI=1S/C5H5N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-3,10H,(H,8,9)
InChIKeyIZTVIIHVHRHUPA-UHFFFAOYSA-N
XLogP-0.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxypyrimidine-2-carboxamide?
The IUPAC name of N-hydroxypyrimidine-2-carboxamide (CID 22341329) is N-hydroxypyrimidine-2-carboxamide.
What is the SMILES notation for N-hydroxypyrimidine-2-carboxamide?
The canonical SMILES for N-hydroxypyrimidine-2-carboxamide is O=C(NO)c1ncccn1.
What is the InChIKey of N-hydroxypyrimidine-2-carboxamide?
The InChIKey is IZTVIIHVHRHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c9-5(8-10)4-6-2-1-3-7-4/h1-3,10H,(H,8,9).
What are the key properties of N-hydroxypyrimidine-2-carboxamide?
N-hydroxypyrimidine-2-carboxamide has a molecular weight of 139.11 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxypyrimidine-2-carboxamide is sourced from PubChem (CID 22341329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).