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

C5H8N4O — CID 135966161

IUPAC4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide
SMILESC/N=C(\N)c1[nH]cnc1O
InChIInChI=1S/C5H8N4O/c1-7-4(6)3-5(10)9-2-8-3/h2,10H,1H3,(H2,6,7)(H,8,9)
InChIKeySQRTXTPKGKFGAH-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.55
Rot. Bonds1

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

4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide (PubChem CID 135966161) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide
PubChem CID135966161
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide
SMILESC/N=C(\N)c1[nH]cnc1O
InChIInChI=1S/C5H8N4O/c1-7-4(6)3-5(10)9-2-8-3/h2,10H,1H3,(H2,6,7)(H,8,9)
InChIKeySQRTXTPKGKFGAH-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide (CID 135966161) is 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide is C/N=C(\N)c1[nH]cnc1O.
What is the InChIKey of 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide?
The InChIKey is SQRTXTPKGKFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-7-4(6)3-5(10)9-2-8-3/h2,10H,1H3,(H2,6,7)(H,8,9).
What are the key properties of 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide?
4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide has a molecular weight of 140.15 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-methyl-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 135966161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).