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

C5H8N4O — CID 136645011

IUPACN'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide
SMILESCc1[nH]cnc1C(N)=NO
InChIInChI=1S/C5H8N4O/c1-3-4(5(6)9-10)8-2-7-3/h2,10H,1H3,(H2,6,9)(H,7,8)
InChIKeyLTALUEOSLLVYJR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.19
Rot. Bonds1

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

N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide (PubChem CID 136645011) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide
PubChem CID136645011
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide
SMILESCc1[nH]cnc1C(N)=NO
InChIInChI=1S/C5H8N4O/c1-3-4(5(6)9-10)8-2-7-3/h2,10H,1H3,(H2,6,9)(H,7,8)
InChIKeyLTALUEOSLLVYJR-UHFFFAOYSA-N
XLogP-0.19
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide (CID 136645011) is N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide is Cc1[nH]cnc1C(N)=NO.
What is the InChIKey of N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide?
The InChIKey is LTALUEOSLLVYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-4(5(6)9-10)8-2-7-3/h2,10H,1H3,(H2,6,9)(H,7,8).
What are the key properties of N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide?
N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide has a molecular weight of 140.15 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-1H-imidazole-4-carboximidamide is sourced from PubChem (CID 136645011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).