CAS 56973-26-3|5-hydroxy-1H-imidazole-4-carboxamide|5-Hydroxy-1H-imidazole-4-carboxamide|5-hydroxy-1H-imidazole-4-carboxamide|5-hydroxy-3H-imidazole-4-carboxamide|4-hydroxy-1H-imidazole-5-carboxamid...

General Information

Structure

Molecular Formula

C₄H₅N₃O₂

Molecular Mass

127.1014

Exact Mass

127.03817642

Charge

InChI

InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)

InChIKey

UEWSIIBPZOBMBL-UHFFFAOYSA-N

Canonic Smiles

NC(=O)c1nc[nH]c1O

Isomeric Smiles

c1nc(c([nH]1)O)C(=O)N

Calculated Properties

JChem

LogD (pH = 7.4)

-2.10

LogD (pH = 5.5)

-1.12

Log P

-0.58

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

4.92

Polar Surface Area

92.00

Polarizability

10.98

Molar Refractivity

28.95

LOG S

-0.79

Data Source

Names and Identifiers

IUPAC Traditional name

5-hydroxy-1H-imidazole-4-carboxamide 5-hydroxy-3H-imidazole-4-carboxamide

Synonyms

5-Hydroxy-1H-imidazole-4-carboxamide5-Hydroxy-3H-imidazole-4-carboxylic Acid Amide5-Hydroxy-3H-imidazole-4-carboxamide4-Carbamoylimidazolium-5-olatemizoribine aglycone4(5)-hydroxy-5(4)-imidazolecarboxamide4-carbamoylimidazolium 5-olatemizoribine base5-hydroxyimidazole-4-carboxamideSM-108SM 108

IUPAC name

5-hydroxy-1H-imidazole-4-carboxamide 4-hydroxy-1H-imidazole-5-carboxamide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID