N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide

C7H13N3O3 — CID 163160298

IUPACN-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide
SMILESCc1ncc([NH+]([O-])O)n1CCCO
InChIInChI=1S/C7H13N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,10-12H,2-4H2,1H3
InChIKeyQSQNFDQVQYLQCI-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.02
Rot. Bonds4

About N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide

N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide (PubChem CID 163160298) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide.

Molecular Properties

Compound NameN-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide
PubChem CID163160298
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide
SMILESCc1ncc([NH+]([O-])O)n1CCCO
InChIInChI=1S/C7H13N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,10-12H,2-4H2,1H3
InChIKeyQSQNFDQVQYLQCI-UHFFFAOYSA-N
XLogP-1.02
TPSA85.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.02
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 N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide?
The IUPAC name of N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide (CID 163160298) is N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide.
What is the SMILES notation for N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide?
The canonical SMILES for N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide is Cc1ncc([NH+]([O-])O)n1CCCO.
What is the InChIKey of N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide?
The InChIKey is QSQNFDQVQYLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-6-8-5-7(10(12)13)9(6)3-2-4-11/h5,10-12H,2-4H2,1H3.
What are the key properties of N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide?
N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide has a molecular weight of 187.20 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(3-hydroxypropyl)-2-methylimidazol-4-amine oxide is sourced from PubChem (CID 163160298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).