O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine

C4H8N4O — CID 18726942

IUPACO-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine
SMILESNOCc1[nH]cnc1N
InChIInChI=1S/C4H8N4O/c5-4-3(1-9-6)7-2-8-4/h2H,1,5-6H2,(H,7,8)
InChIKeySCECSOITENOYLH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.62
Rot. Bonds2

About O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine

O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine (PubChem CID 18726942) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine
PubChem CID18726942
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC NameO-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine
SMILESNOCc1[nH]cnc1N
InChIInChI=1S/C4H8N4O/c5-4-3(1-9-6)7-2-8-4/h2H,1,5-6H2,(H,7,8)
InChIKeySCECSOITENOYLH-UHFFFAOYSA-N
XLogP-0.62
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine 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 O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine (CID 18726942) is O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine is NOCc1[nH]cnc1N.
What is the InChIKey of O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine?
The InChIKey is SCECSOITENOYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-4-3(1-9-6)7-2-8-4/h2H,1,5-6H2,(H,7,8).
What are the key properties of O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine?
O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine has a molecular weight of 128.13 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-amino-1H-imidazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 18726942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).