2-oxo-1H-imidazole-3-carboxamide

C4H5N3O2 — CID 13320621

IUPAC2-oxo-1H-imidazole-3-carboxamide
SMILESNC(=O)n1cc[nH]c1=O
InChIInChI=1S/C4H5N3O2/c5-3(8)7-2-1-6-4(7)9/h1-2H,(H2,5,8)(H,6,9)
InChIKeyZZWXKZOJQNEQFT-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.90
Rot. Bonds

About 2-oxo-1H-imidazole-3-carboxamide

2-oxo-1H-imidazole-3-carboxamide (PubChem CID 13320621) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-oxo-1H-imidazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1H-imidazole-3-carboxamide
PubChem CID13320621
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-oxo-1H-imidazole-3-carboxamide
SMILESNC(=O)n1cc[nH]c1=O
InChIInChI=1S/C4H5N3O2/c5-3(8)7-2-1-6-4(7)9/h1-2H,(H2,5,8)(H,6,9)
InChIKeyZZWXKZOJQNEQFT-UHFFFAOYSA-N
XLogP-0.90
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-imidazole-3-carboxamide?
The IUPAC name of 2-oxo-1H-imidazole-3-carboxamide (CID 13320621) is 2-oxo-1H-imidazole-3-carboxamide.
What is the SMILES notation for 2-oxo-1H-imidazole-3-carboxamide?
The canonical SMILES for 2-oxo-1H-imidazole-3-carboxamide is NC(=O)n1cc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-imidazole-3-carboxamide?
The InChIKey is ZZWXKZOJQNEQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-3(8)7-2-1-6-4(7)9/h1-2H,(H2,5,8)(H,6,9).
What are the key properties of 2-oxo-1H-imidazole-3-carboxamide?
2-oxo-1H-imidazole-3-carboxamide has a molecular weight of 127.10 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-imidazole-3-carboxamide is sourced from PubChem (CID 13320621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).