5-methyl-2-oxoimidazole-4-carboxamide

C5H5N3O2 — CID 45084074

IUPAC5-methyl-2-oxoimidazole-4-carboxamide
SMILESCC1=NC(=O)N=C1C(N)=O
InChIInChI=1S/C5H5N3O2/c1-2-3(4(6)9)8-5(10)7-2/h1H3,(H2,6,9)
InChIKeyVVXPUIWGQWCCEM-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.49
Rot. Bonds1

About 5-methyl-2-oxoimidazole-4-carboxamide

5-methyl-2-oxoimidazole-4-carboxamide (PubChem CID 45084074) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-methyl-2-oxoimidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxoimidazole-4-carboxamide
PubChem CID45084074
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name5-methyl-2-oxoimidazole-4-carboxamide
SMILESCC1=NC(=O)N=C1C(N)=O
InChIInChI=1S/C5H5N3O2/c1-2-3(4(6)9)8-5(10)7-2/h1H3,(H2,6,9)
InChIKeyVVXPUIWGQWCCEM-UHFFFAOYSA-N
XLogP-0.49
TPSA84.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxoimidazole-4-carboxamide?
The IUPAC name of 5-methyl-2-oxoimidazole-4-carboxamide (CID 45084074) is 5-methyl-2-oxoimidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-oxoimidazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-oxoimidazole-4-carboxamide is CC1=NC(=O)N=C1C(N)=O.
What is the InChIKey of 5-methyl-2-oxoimidazole-4-carboxamide?
The InChIKey is VVXPUIWGQWCCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c1-2-3(4(6)9)8-5(10)7-2/h1H3,(H2,6,9).
What are the key properties of 5-methyl-2-oxoimidazole-4-carboxamide?
5-methyl-2-oxoimidazole-4-carboxamide has a molecular weight of 139.11 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxoimidazole-4-carboxamide is sourced from PubChem (CID 45084074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).