hydroxylamine;5-methyl-1H-imidazole

C4H9N3O — CID 142408820

IUPAChydroxylamine;5-methyl-1H-imidazole
SMILESCc1cnc[nH]1.NO
InChIInChI=1S/C4H6N2.H3NO/c1-4-2-5-3-6-4;1-2/h2-3H,1H3,(H,5,6);2H,1H2
InChIKeyFVUZPMULKWQNNJ-UHFFFAOYSA-N
MW115.14 g/mol
LogP0.05
Rot. Bonds

About hydroxylamine;5-methyl-1H-imidazole

hydroxylamine;5-methyl-1H-imidazole (PubChem CID 142408820) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is hydroxylamine;5-methyl-1H-imidazole.

Molecular Properties

Compound Namehydroxylamine;5-methyl-1H-imidazole
PubChem CID142408820
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Namehydroxylamine;5-methyl-1H-imidazole
SMILESCc1cnc[nH]1.NO
InChIInChI=1S/C4H6N2.H3NO/c1-4-2-5-3-6-4;1-2/h2-3H,1H3,(H,5,6);2H,1H2
InChIKeyFVUZPMULKWQNNJ-UHFFFAOYSA-N
XLogP0.05
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanamine;methane;2-methylguanidine;5-methyl-1H-imidazole
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1-amino-3-methylbutan-2-one;ethane;5-methyl-1H-imidazole
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ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide
CID 159981336
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CID 70518554
N,N-dimethylbutan-1-amine;5-methyl-1H-imidazole
CID 144593891
2-hydroxybenzenesulfonic acid;5-methyl-1H-imidazole
CID 87096164
2-[(dimethylamino)methyl]phenol;5-methyl-1H-imidazole
CID 175322910
1-ethylimidazole;5-methyl-1H-imidazole
CID 159971219
4-deuterio-5-methyl-1H-imidazole
CID 135974623
5-(1-ethoxyethenyl)-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of hydroxylamine;5-methyl-1H-imidazole?
The IUPAC name of hydroxylamine;5-methyl-1H-imidazole (CID 142408820) is hydroxylamine;5-methyl-1H-imidazole.
What is the SMILES notation for hydroxylamine;5-methyl-1H-imidazole?
The canonical SMILES for hydroxylamine;5-methyl-1H-imidazole is Cc1cnc[nH]1.NO.
What is the InChIKey of hydroxylamine;5-methyl-1H-imidazole?
The InChIKey is FVUZPMULKWQNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.H3NO/c1-4-2-5-3-6-4;1-2/h2-3H,1H3,(H,5,6);2H,1H2.
What are the key properties of hydroxylamine;5-methyl-1H-imidazole?
hydroxylamine;5-methyl-1H-imidazole has a molecular weight of 115.14 g/mol, XLogP of 0.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;5-methyl-1H-imidazole is sourced from PubChem (CID 142408820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).