hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride

C4H10ClN3O2 — CID 174888282

IUPAChydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride
SMILESCc1cc(N)no1.Cl.NO
InChIInChI=1S/C4H6N2O.ClH.H3NO/c1-3-2-4(5)6-7-3;;1-2/h2H,1H3,(H2,5,6);1H;2H,1H2
InChIKeyVTWWNRXSUUYSDV-UHFFFAOYSA-N
MW167.60 g/mol
LogP0.32
Rot. Bonds

About hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride

hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride (PubChem CID 174888282) has the molecular formula C4H10ClN3O2 and a molecular weight of 167.60 g/mol. Its IUPAC name is hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride.

Molecular Properties

Compound Namehydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride
PubChem CID174888282
Molecular FormulaC4H10ClN3O2
Molecular Weight167.60 g/mol
Exact Mass167.05
IUPAC Namehydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride
SMILESCc1cc(N)no1.Cl.NO
InChIInChI=1S/C4H6N2O.ClH.H3NO/c1-3-2-4(5)6-7-3;;1-2/h2H,1H3,(H2,5,6);1H;2H,1H2
InChIKeyVTWWNRXSUUYSDV-UHFFFAOYSA-N
XLogP0.32
TPSA98.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride?
The IUPAC name of hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride (CID 174888282) is hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride.
What is the SMILES notation for hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride?
The canonical SMILES for hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride is Cc1cc(N)no1.Cl.NO.
What is the InChIKey of hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride?
The InChIKey is VTWWNRXSUUYSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.ClH.H3NO/c1-3-2-4(5)6-7-3;;1-2/h2H,1H3,(H2,5,6);1H;2H,1H2.
What are the key properties of hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride?
hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride has a molecular weight of 167.60 g/mol, XLogP of 0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;5-methyl-1,2-oxazol-3-amine;hydrochloride is sourced from PubChem (CID 174888282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).