5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide

C5H9N5O — CID 6155041

IUPAC5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide
SMILESCn1cnc(/C(N)=N\O)c1N
InChIInChI=1S/C5H9N5O/c1-10-2-8-3(5(10)7)4(6)9-11/h2,11H,7H2,1H3,(H2,6,9)
InChIKeyUWURDYHGMWPRJX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.90
Rot. Bonds1

About 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide

5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide (PubChem CID 6155041) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide.

Molecular Properties

Compound Name5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide
PubChem CID6155041
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide
SMILESCn1cnc(/C(N)=N\O)c1N
InChIInChI=1S/C5H9N5O/c1-10-2-8-3(5(10)7)4(6)9-11/h2,11H,7H2,1H3,(H2,6,9)
InChIKeyUWURDYHGMWPRJX-UHFFFAOYSA-N
XLogP-0.90
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide?
The IUPAC name of 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide (CID 6155041) is 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide.
What is the SMILES notation for 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide?
The canonical SMILES for 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide is Cn1cnc(/C(N)=N\O)c1N.
What is the InChIKey of 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide?
The InChIKey is UWURDYHGMWPRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-10-2-8-3(5(10)7)4(6)9-11/h2,11H,7H2,1H3,(H2,6,9).
What are the key properties of 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide?
5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide has a molecular weight of 155.16 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N'-hydroxy-1-methylimidazole-4-carboximidamide is sourced from PubChem (CID 6155041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).