1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine

C4H6N6O — CID 69255407

IUPAC1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine
SMILESNc1nc2ncc(N)n2n1O
InChIInChI=1S/C4H6N6O/c5-2-1-7-4-8-3(6)10(11)9(2)4/h1,11H,5H2,(H2,6,7,8)
InChIKeyGMANFZQJNHZXAM-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.07
Rot. Bonds

About 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine

1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine (PubChem CID 69255407) has the molecular formula C4H6N6O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine.

Molecular Properties

Compound Name1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine
PubChem CID69255407
Molecular FormulaC4H6N6O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine
SMILESNc1nc2ncc(N)n2n1O
InChIInChI=1S/C4H6N6O/c5-2-1-7-4-8-3(6)10(11)9(2)4/h1,11H,5H2,(H2,6,7,8)
InChIKeyGMANFZQJNHZXAM-UHFFFAOYSA-N
XLogP-1.07
TPSA107.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine?
The IUPAC name of 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine (CID 69255407) is 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine.
What is the SMILES notation for 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine?
The canonical SMILES for 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine is Nc1nc2ncc(N)n2n1O.
What is the InChIKey of 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine?
The InChIKey is GMANFZQJNHZXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N6O/c5-2-1-7-4-8-3(6)10(11)9(2)4/h1,11H,5H2,(H2,6,7,8).
What are the key properties of 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine?
1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine has a molecular weight of 154.13 g/mol, XLogP of -1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimidazo[1,2-b][1,2,4]triazole-2,6-diamine is sourced from PubChem (CID 69255407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).