1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine

C4H5N5O — CID 55284916

IUPAC1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine
SMILESNc1cnc2ncn(O)n12
InChIInChI=1S/C4H5N5O/c5-3-1-6-4-7-2-8(10)9(3)4/h1-2,10H,5H2
InChIKeySSZNIMHZCUJUSL-UHFFFAOYSA-N
MW139.12 g/mol
LogP-0.65
Rot. Bonds

About 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine

1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine (PubChem CID 55284916) has the molecular formula C4H5N5O and a molecular weight of 139.12 g/mol. Its IUPAC name is 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine
PubChem CID55284916
Molecular FormulaC4H5N5O
Molecular Weight139.12 g/mol
Exact Mass139.05
IUPAC Name1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine
SMILESNc1cnc2ncn(O)n12
InChIInChI=1S/C4H5N5O/c5-3-1-6-4-7-2-8(10)9(3)4/h1-2,10H,5H2
InChIKeySSZNIMHZCUJUSL-UHFFFAOYSA-N
XLogP-0.65
TPSA81.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine?
The IUPAC name of 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine (CID 55284916) is 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine is Nc1cnc2ncn(O)n12.
What is the InChIKey of 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine?
The InChIKey is SSZNIMHZCUJUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5O/c5-3-1-6-4-7-2-8(10)9(3)4/h1-2,10H,5H2.
What are the key properties of 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine?
1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine has a molecular weight of 139.12 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimidazo[1,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 55284916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).