5-hydroxy-N,1-dimethylimidazole-4-carboxamide

C6H9N3O2 — CID 45120270

IUPAC5-hydroxy-N,1-dimethylimidazole-4-carboxamide
SMILESCNC(=O)c1ncn(C)c1O
InChIInChI=1S/C6H9N3O2/c1-7-5(10)4-6(11)9(2)3-8-4/h3,11H,1-2H3,(H,7,10)
InChIKeyCWRJKMRIQYGOMX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.51
Rot. Bonds1

About 5-hydroxy-N,1-dimethylimidazole-4-carboxamide

5-hydroxy-N,1-dimethylimidazole-4-carboxamide (PubChem CID 45120270) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-hydroxy-N,1-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,1-dimethylimidazole-4-carboxamide
PubChem CID45120270
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-hydroxy-N,1-dimethylimidazole-4-carboxamide
SMILESCNC(=O)c1ncn(C)c1O
InChIInChI=1S/C6H9N3O2/c1-7-5(10)4-6(11)9(2)3-8-4/h3,11H,1-2H3,(H,7,10)
InChIKeyCWRJKMRIQYGOMX-UHFFFAOYSA-N
XLogP-0.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,1-dimethylimidazole-4-carboxamide?
The IUPAC name of 5-hydroxy-N,1-dimethylimidazole-4-carboxamide (CID 45120270) is 5-hydroxy-N,1-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N,1-dimethylimidazole-4-carboxamide?
The canonical SMILES for 5-hydroxy-N,1-dimethylimidazole-4-carboxamide is CNC(=O)c1ncn(C)c1O.
What is the InChIKey of 5-hydroxy-N,1-dimethylimidazole-4-carboxamide?
The InChIKey is CWRJKMRIQYGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-7-5(10)4-6(11)9(2)3-8-4/h3,11H,1-2H3,(H,7,10).
What are the key properties of 5-hydroxy-N,1-dimethylimidazole-4-carboxamide?
5-hydroxy-N,1-dimethylimidazole-4-carboxamide has a molecular weight of 155.16 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,1-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 45120270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).