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

C3H8ClN5O — CID 10176283

IUPAC1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride
SMILESCl.[H]/N=C1\N(N)CC(=O)N1N
InChIInChI=1S/C3H7N5O.ClH/c4-3-7(5)1-2(9)8(3)6;/h4H,1,5-6H2;1H/b4-3+;
InChIKeyCHOMLAGDAURZHS-BJILWQEISA-N
MW165.58 g/mol
LogP-1.77
Rot. Bonds

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

1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride (PubChem CID 10176283) has the molecular formula C3H8ClN5O and a molecular weight of 165.58 g/mol. Its IUPAC name is 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride
PubChem CID10176283
Molecular FormulaC3H8ClN5O
Molecular Weight165.58 g/mol
Exact Mass165.04
IUPAC Name1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride
SMILESCl.[H]/N=C1\N(N)CC(=O)N1N
InChIInChI=1S/C3H7N5O.ClH/c4-3-7(5)1-2(9)8(3)6;/h4H,1,5-6H2;1H/b4-3+;
InChIKeyCHOMLAGDAURZHS-BJILWQEISA-N
XLogP-1.77
TPSA99.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-1.77
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;hydrochloride?
The IUPAC name of 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride (CID 10176283) is 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride?
The canonical SMILES for 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride is Cl.[H]/N=C1\N(N)CC(=O)N1N.
What is the InChIKey of 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride?
The InChIKey is CHOMLAGDAURZHS-BJILWQEISA-N. The full InChI is InChI=1S/C3H7N5O.ClH/c4-3-7(5)1-2(9)8(3)6;/h4H,1,5-6H2;1H/b4-3+;.
What are the key properties of 1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride?
1,3-diamino-2-iminoimidazolidin-4-one;hydrochloride has a molecular weight of 165.58 g/mol, XLogP of -1.77, 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;hydrochloride is sourced from PubChem (CID 10176283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).