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

C4H8N4O — CID 21197943

IUPAC3-amino-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)CC(=O)N1N
InChIInChI=1S/C4H8N4O/c1-7-2-3(9)8(6)4(7)5/h5H,2,6H2,1H3/b5-4+
InChIKeyWQENATPTEFSKHT-SNAWJCMRSA-N
MW128.13 g/mol
LogP-1.43
Rot. Bonds

About 3-amino-2-imino-1-methylimidazolidin-4-one

3-amino-2-imino-1-methylimidazolidin-4-one (PubChem CID 21197943) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-amino-2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-amino-2-imino-1-methylimidazolidin-4-one
PubChem CID21197943
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name3-amino-2-imino-1-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)CC(=O)N1N
InChIInChI=1S/C4H8N4O/c1-7-2-3(9)8(6)4(7)5/h5H,2,6H2,1H3/b5-4+
InChIKeyWQENATPTEFSKHT-SNAWJCMRSA-N
XLogP-1.43
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-imino-1-methylimidazolidin-4-one?
The IUPAC name of 3-amino-2-imino-1-methylimidazolidin-4-one (CID 21197943) is 3-amino-2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for 3-amino-2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for 3-amino-2-imino-1-methylimidazolidin-4-one is [H]/N=C1\N(C)CC(=O)N1N.
What is the InChIKey of 3-amino-2-imino-1-methylimidazolidin-4-one?
The InChIKey is WQENATPTEFSKHT-SNAWJCMRSA-N. The full InChI is InChI=1S/C4H8N4O/c1-7-2-3(9)8(6)4(7)5/h5H,2,6H2,1H3/b5-4+.
What are the key properties of 3-amino-2-imino-1-methylimidazolidin-4-one?
3-amino-2-imino-1-methylimidazolidin-4-one has a molecular weight of 128.13 g/mol, XLogP of -1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 21197943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).