2-amino-1-hydroxyimidazol-4-ol

C3H5N3O2 — CID 55281434

IUPAC2-amino-1-hydroxyimidazol-4-ol
SMILESNc1nc(O)cn1O
InChIInChI=1S/C3H5N3O2/c4-3-5-2(7)1-6(3)8/h1,7-8H,(H2,4,5)
InChIKeyNTXZOYHWSHTGBF-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.59
Rot. Bonds

About 2-amino-1-hydroxyimidazol-4-ol

2-amino-1-hydroxyimidazol-4-ol (PubChem CID 55281434) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is 2-amino-1-hydroxyimidazol-4-ol.

Molecular Properties

Compound Name2-amino-1-hydroxyimidazol-4-ol
PubChem CID55281434
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC Name2-amino-1-hydroxyimidazol-4-ol
SMILESNc1nc(O)cn1O
InChIInChI=1S/C3H5N3O2/c4-3-5-2(7)1-6(3)8/h1,7-8H,(H2,4,5)
InChIKeyNTXZOYHWSHTGBF-UHFFFAOYSA-N
XLogP-0.59
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroxyimidazol-4-ol?
The IUPAC name of 2-amino-1-hydroxyimidazol-4-ol (CID 55281434) is 2-amino-1-hydroxyimidazol-4-ol.
What is the SMILES notation for 2-amino-1-hydroxyimidazol-4-ol?
The canonical SMILES for 2-amino-1-hydroxyimidazol-4-ol is Nc1nc(O)cn1O.
What is the InChIKey of 2-amino-1-hydroxyimidazol-4-ol?
The InChIKey is NTXZOYHWSHTGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-3-5-2(7)1-6(3)8/h1,7-8H,(H2,4,5).
What are the key properties of 2-amino-1-hydroxyimidazol-4-ol?
2-amino-1-hydroxyimidazol-4-ol has a molecular weight of 115.09 g/mol, XLogP of -0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxyimidazol-4-ol is sourced from PubChem (CID 55281434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).