5-amino-2-imino-1-methylimidazolidin-4-one

C4H8N4O — CID 154731276

IUPAC5-amino-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(N)N1C
InChIInChI=1S/C4H8N4O/c1-8-2(5)3(9)7-4(8)6/h2H,5H2,1H3,(H2,6,7,9)
InChIKeyLSBFQZGHHKMAFX-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.73
Rot. Bonds

About 5-amino-2-imino-1-methylimidazolidin-4-one

5-amino-2-imino-1-methylimidazolidin-4-one (PubChem CID 154731276) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-amino-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-amino-2-imino-1-methylimidazolidin-4-one
PubChem CID154731276
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name5-amino-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(N)N1C
InChIInChI=1S/C4H8N4O/c1-8-2(5)3(9)7-4(8)6/h2H,5H2,1H3,(H2,6,7,9)
InChIKeyLSBFQZGHHKMAFX-UHFFFAOYSA-N
XLogP-1.73
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 5-amino-2-imino-1-methylimidazolidin-4-one (CID 154731276) is 5-amino-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 5-amino-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 5-amino-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\NC(=O)C(N)N1C.
What is the InChIKey of 5-amino-2-imino-1-methylimidazolidin-4-one?
The InChIKey is LSBFQZGHHKMAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c1-8-2(5)3(9)7-4(8)6/h2H,5H2,1H3,(H2,6,7,9).
What are the key properties of 5-amino-2-imino-1-methylimidazolidin-4-one?
5-amino-2-imino-1-methylimidazolidin-4-one has a molecular weight of 128.13 g/mol, XLogP of -1.73, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 154731276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).