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

C4H7N5O — CID 135556880

IUPAC4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide
SMILESN/C(=N\O)c1[nH]cnc1N
InChIInChI=1S/C4H7N5O/c5-3-2(4(6)9-10)7-1-8-3/h1,10H,5H2,(H2,6,9)(H,7,8)
InChIKeyXFUFMURAPFNILS-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.91
Rot. Bonds1

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

4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide (PubChem CID 135556880) has the molecular formula C4H7N5O and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide
PubChem CID135556880
Molecular FormulaC4H7N5O
Molecular Weight141.13 g/mol
Exact Mass141.07
IUPAC Name4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide
SMILESN/C(=N\O)c1[nH]cnc1N
InChIInChI=1S/C4H7N5O/c5-3-2(4(6)9-10)7-1-8-3/h1,10H,5H2,(H2,6,9)(H,7,8)
InChIKeyXFUFMURAPFNILS-UHFFFAOYSA-N
XLogP-0.91
TPSA113.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Mercaptopurine
CID 667490
Thioguanine
CID 2723601
6-Mercaptopurine Monohydrate
CID 2724350
3-Methyladenine
CID 135398661
1-Methyladenine
CID 135398646
6-Mercaptopurine 3-oxide
CID 3032298
5-amino-1H-imidazole-4-carbonitrile
CID 78777
3-Propyladenine
CID 135435068
Adenine, 1-oxide
CID 135407691
3-Ethyladenine
CID 135435067
1-Ethyladenine
CID 135398554
3-methyl-7H-purine-6-thione
CID 4312973

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide (CID 135556880) is 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide is N/C(=N\O)c1[nH]cnc1N.
What is the InChIKey of 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide?
The InChIKey is XFUFMURAPFNILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O/c5-3-2(4(6)9-10)7-1-8-3/h1,10H,5H2,(H2,6,9)(H,7,8).
What are the key properties of 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide?
4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide has a molecular weight of 141.13 g/mol, XLogP of -0.91, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-hydroxy-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 135556880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).