1,3-diamino-2-iminoimidazolidin-4-one

C3H7N5O — CID 10176284

IUPAC1,3-diamino-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\N(N)CC(=O)N1N
InChIInChI=1S/C3H7N5O/c4-3-7(5)1-2(9)8(3)6/h4H,1,5-6H2/b4-3+
InChIKeyUEVIXHSGGOOXRX-ONEGZZNKSA-N
MW129.12 g/mol
LogP-2.19
Rot. Bonds

About 1,3-diamino-2-iminoimidazolidin-4-one

1,3-diamino-2-iminoimidazolidin-4-one (PubChem CID 10176284) has the molecular formula C3H7N5O and a molecular weight of 129.12 g/mol. Its IUPAC name is 1,3-diamino-2-iminoimidazolidin-4-one.

Molecular Properties

Compound Name1,3-diamino-2-iminoimidazolidin-4-one
PubChem CID10176284
Molecular FormulaC3H7N5O
Molecular Weight129.12 g/mol
Exact Mass129.07
IUPAC Name1,3-diamino-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\N(N)CC(=O)N1N
InChIInChI=1S/C3H7N5O/c4-3-7(5)1-2(9)8(3)6/h4H,1,5-6H2/b4-3+
InChIKeyUEVIXHSGGOOXRX-ONEGZZNKSA-N
XLogP-2.19
TPSA99.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1,3-diamino-2-iminoimidazolidin-4-one?
The IUPAC name of 1,3-diamino-2-iminoimidazolidin-4-one (CID 10176284) is 1,3-diamino-2-iminoimidazolidin-4-one.
What is the SMILES notation for 1,3-diamino-2-iminoimidazolidin-4-one?
The canonical SMILES for 1,3-diamino-2-iminoimidazolidin-4-one is [H]/N=C1\N(N)CC(=O)N1N.
What is the InChIKey of 1,3-diamino-2-iminoimidazolidin-4-one?
The InChIKey is UEVIXHSGGOOXRX-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H7N5O/c4-3-7(5)1-2(9)8(3)6/h4H,1,5-6H2/b4-3+.
What are the key properties of 1,3-diamino-2-iminoimidazolidin-4-one?
1,3-diamino-2-iminoimidazolidin-4-one has a molecular weight of 129.12 g/mol, XLogP of -2.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2-iminoimidazolidin-4-one is sourced from PubChem (CID 10176284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).