oxaziridine-2-carboximidamide;hydrochloride

C2H6ClN3O — CID 87822275

IUPACoxaziridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CO1
InChIInChI=1S/C2H5N3O.ClH/c3-2(4)5-1-6-5;/h1H2,(H3,3,4);1H
InChIKeyVQQRVKWODZUGOS-UHFFFAOYSA-N
MW123.54 g/mol
LogP-0.49
Rot. Bonds

About oxaziridine-2-carboximidamide;hydrochloride

oxaziridine-2-carboximidamide;hydrochloride (PubChem CID 87822275) has the molecular formula C2H6ClN3O and a molecular weight of 123.54 g/mol. Its IUPAC name is oxaziridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Nameoxaziridine-2-carboximidamide;hydrochloride
PubChem CID87822275
Molecular FormulaC2H6ClN3O
Molecular Weight123.54 g/mol
Exact Mass123.02
IUPAC Nameoxaziridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CO1
InChIInChI=1S/C2H5N3O.ClH/c3-2(4)5-1-6-5;/h1H2,(H3,3,4);1H
InChIKeyVQQRVKWODZUGOS-UHFFFAOYSA-N
XLogP-0.49
TPSA65.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.54
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze oxaziridine-2-carboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxaziridine-2-carboximidamide
CID 87822276
3-methoxyazetidine-1-carboximidamide;hydrochloride
CID 154776397
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
triazole-2-carboximidamide;hydrochloride
CID 130367054
ethanediimidamide;trihydrochloride
CID 139639987
4-propylpiperazine-1-carboximidamide
CID 18176782
4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride
CID 156599985
5-aminopyrazole-1-carboximidamide;hydrochloride
CID 19382651
2-methylideneazetidine-1-carboximidamide
CID 118492858
2-(hydroxymethyl)-6-methylmorpholine-4-carboximidamide
CID 102936516
(2R,3S)-1-carbamimidoyl-2-methylazetidine-3-carboxylic acid
CID 118493172
4-(3-hydroxypropyl)piperazine-1-carboximidamide
CID 170081980

Frequently Asked Questions

What is the IUPAC name of oxaziridine-2-carboximidamide;hydrochloride?
The IUPAC name of oxaziridine-2-carboximidamide;hydrochloride (CID 87822275) is oxaziridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for oxaziridine-2-carboximidamide;hydrochloride?
The canonical SMILES for oxaziridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CO1.
What is the InChIKey of oxaziridine-2-carboximidamide;hydrochloride?
The InChIKey is VQQRVKWODZUGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O.ClH/c3-2(4)5-1-6-5;/h1H2,(H3,3,4);1H.
What are the key properties of oxaziridine-2-carboximidamide;hydrochloride?
oxaziridine-2-carboximidamide;hydrochloride has a molecular weight of 123.54 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxaziridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 87822275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).