methanol;2-nitro-1H-imidazole

C4H7N3O3 — CID 67614962

IUPACmethanol;2-nitro-1H-imidazole
SMILESCO.O=[N+]([O-])c1ncc[nH]1
InChIInChI=1S/C3H3N3O2.CH4O/c7-6(8)3-4-1-2-5-3;1-2/h1-2H,(H,4,5);2H,1H3
InChIKeyRWNLROQLOYUNTL-UHFFFAOYSA-N
MW145.12 g/mol
LogP-0.07
Rot. Bonds1

About methanol;2-nitro-1H-imidazole

methanol;2-nitro-1H-imidazole (PubChem CID 67614962) has the molecular formula C4H7N3O3 and a molecular weight of 145.12 g/mol. Its IUPAC name is methanol;2-nitro-1H-imidazole.

Molecular Properties

Compound Namemethanol;2-nitro-1H-imidazole
PubChem CID67614962
Molecular FormulaC4H7N3O3
Molecular Weight145.12 g/mol
Exact Mass145.05
IUPAC Namemethanol;2-nitro-1H-imidazole
SMILESCO.O=[N+]([O-])c1ncc[nH]1
InChIInChI=1S/C3H3N3O2.CH4O/c7-6(8)3-4-1-2-5-3;1-2/h1-2H,(H,4,5);2H,1H3
InChIKeyRWNLROQLOYUNTL-UHFFFAOYSA-N
XLogP-0.07
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of methanol;2-nitro-1H-imidazole?
The IUPAC name of methanol;2-nitro-1H-imidazole (CID 67614962) is methanol;2-nitro-1H-imidazole.
What is the SMILES notation for methanol;2-nitro-1H-imidazole?
The canonical SMILES for methanol;2-nitro-1H-imidazole is CO.O=[N+]([O-])c1ncc[nH]1.
What is the InChIKey of methanol;2-nitro-1H-imidazole?
The InChIKey is RWNLROQLOYUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3O2.CH4O/c7-6(8)3-4-1-2-5-3;1-2/h1-2H,(H,4,5);2H,1H3.
What are the key properties of methanol;2-nitro-1H-imidazole?
methanol;2-nitro-1H-imidazole has a molecular weight of 145.12 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-nitro-1H-imidazole is sourced from PubChem (CID 67614962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).