5-aminoimidazole-2,4-dione

C3H3N3O2 — CID 15191549

IUPAC5-aminoimidazole-2,4-dione
SMILESNC1=NC(=O)NC1=O
InChIInChI=1S/C3H3N3O2/c4-1-2(7)6-3(8)5-1/h(H3,4,5,6,7,8)
InChIKeyNGNNFDYHJKDHJN-UHFFFAOYSA-N
MW113.08 g/mol
LogP-1.41
Rot. Bonds

About 5-aminoimidazole-2,4-dione

5-aminoimidazole-2,4-dione (PubChem CID 15191549) has the molecular formula C3H3N3O2 and a molecular weight of 113.08 g/mol. Its IUPAC name is 5-aminoimidazole-2,4-dione.

Molecular Properties

Compound Name5-aminoimidazole-2,4-dione
PubChem CID15191549
Molecular FormulaC3H3N3O2
Molecular Weight113.08 g/mol
Exact Mass113.02
IUPAC Name5-aminoimidazole-2,4-dione
SMILESNC1=NC(=O)NC1=O
InChIInChI=1S/C3H3N3O2/c4-1-2(7)6-3(8)5-1/h(H3,4,5,6,7,8)
InChIKeyNGNNFDYHJKDHJN-UHFFFAOYSA-N
XLogP-1.41
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.08
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-aminoimidazole-2,4-dione?
The IUPAC name of 5-aminoimidazole-2,4-dione (CID 15191549) is 5-aminoimidazole-2,4-dione.
What is the SMILES notation for 5-aminoimidazole-2,4-dione?
The canonical SMILES for 5-aminoimidazole-2,4-dione is NC1=NC(=O)NC1=O.
What is the InChIKey of 5-aminoimidazole-2,4-dione?
The InChIKey is NGNNFDYHJKDHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2/c4-1-2(7)6-3(8)5-1/h(H3,4,5,6,7,8).
What are the key properties of 5-aminoimidazole-2,4-dione?
5-aminoimidazole-2,4-dione has a molecular weight of 113.08 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminoimidazole-2,4-dione is sourced from PubChem (CID 15191549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).