4-amino-N'-methoxy-1H-imidazole-5-carboximidamide

C5H9N5O — CID 135992594

IUPAC4-amino-N'-methoxy-1H-imidazole-5-carboximidamide
SMILESCON=C(N)c1[nH]cnc1N
InChIInChI=1S/C5H9N5O/c1-11-10-5(7)3-4(6)9-2-8-3/h2H,6H2,1H3,(H2,7,10)(H,8,9)
InChIKeyBKGBFZBRNLRGFV-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.74
Rot. Bonds2

About 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide

4-amino-N'-methoxy-1H-imidazole-5-carboximidamide (PubChem CID 135992594) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-methoxy-1H-imidazole-5-carboximidamide
PubChem CID135992594
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name4-amino-N'-methoxy-1H-imidazole-5-carboximidamide
SMILESCON=C(N)c1[nH]cnc1N
InChIInChI=1S/C5H9N5O/c1-11-10-5(7)3-4(6)9-2-8-3/h2H,6H2,1H3,(H2,7,10)(H,8,9)
InChIKeyBKGBFZBRNLRGFV-UHFFFAOYSA-N
XLogP-0.74
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide 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 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide (CID 135992594) is 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide is CON=C(N)c1[nH]cnc1N.
What is the InChIKey of 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide?
The InChIKey is BKGBFZBRNLRGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-11-10-5(7)3-4(6)9-2-8-3/h2H,6H2,1H3,(H2,7,10)(H,8,9).
What are the key properties of 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide?
4-amino-N'-methoxy-1H-imidazole-5-carboximidamide has a molecular weight of 155.16 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-methoxy-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 135992594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).