O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine

C4H6N4O3 — CID 79420788

IUPACO-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine
SMILESCn1cnc([N+](=O)[O-])c1ON
InChIInChI=1S/C4H6N4O3/c1-7-2-6-3(8(9)10)4(7)11-5/h2H,5H2,1H3
InChIKeyHHWMJRASJYDNNX-UHFFFAOYSA-N
MW158.12 g/mol
LogP-0.42
Rot. Bonds2

About O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine

O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine (PubChem CID 79420788) has the molecular formula C4H6N4O3 and a molecular weight of 158.12 g/mol. Its IUPAC name is O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine
PubChem CID79420788
Molecular FormulaC4H6N4O3
Molecular Weight158.12 g/mol
Exact Mass158.04
IUPAC NameO-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine
SMILESCn1cnc([N+](=O)[O-])c1ON
InChIInChI=1S/C4H6N4O3/c1-7-2-6-3(8(9)10)4(7)11-5/h2H,5H2,1H3
InChIKeyHHWMJRASJYDNNX-UHFFFAOYSA-N
XLogP-0.42
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-nitro-5-(4-propan-2-ylphenoxy)imidazole
CID 18095594
5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
CID 18095134
1-methyl-4-nitro-5-(pyrrolidin-2-ylmethoxy)imidazole
CID 62348752
5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
CID 63852590
3-methoxy-4-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395625
1-(3-methyl-5-nitroimidazol-4-yl)azetidin-3-amine
CID 65249522
2-fluoro-6-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 107016419
5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395703
3-methyl-1-(3-methyl-5-nitroimidazol-4-yl)butan-2-amine
CID 63197680
2-methyl-3-(3-methyl-5-nitroimidazol-4-yl)propanoic acid
CID 83885997
2-[3-(3-methyl-5-nitroimidazol-4-yl)oxyphenyl]acetic acid
CID 61397980
5-(2-chloro-4-methylpentan-3-yl)-1-methyl-4-nitroimidazole
CID 63205580

Frequently Asked Questions

What is the IUPAC name of O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine?
The IUPAC name of O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine (CID 79420788) is O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine.
What is the SMILES notation for O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine?
The canonical SMILES for O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine is Cn1cnc([N+](=O)[O-])c1ON.
What is the InChIKey of O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine?
The InChIKey is HHWMJRASJYDNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3/c1-7-2-6-3(8(9)10)4(7)11-5/h2H,5H2,1H3.
What are the key properties of O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine?
O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine has a molecular weight of 158.12 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methyl-5-nitroimidazol-4-yl)hydroxylamine is sourced from PubChem (CID 79420788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).