2-nitro-5-propan-2-yloxy-1H-imidazole

C6H9N3O3 — CID 19855279

IUPAC2-nitro-5-propan-2-yloxy-1H-imidazole
SMILESCC(C)Oc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H9N3O3/c1-4(2)12-5-3-7-6(8-5)9(10)11/h3-4H,1-2H3,(H,7,8)
InChIKeyHJEMLTZXNTXLSI-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.11
Rot. Bonds3

About 2-nitro-5-propan-2-yloxy-1H-imidazole

2-nitro-5-propan-2-yloxy-1H-imidazole (PubChem CID 19855279) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-nitro-5-propan-2-yloxy-1H-imidazole.

Molecular Properties

Compound Name2-nitro-5-propan-2-yloxy-1H-imidazole
PubChem CID19855279
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-nitro-5-propan-2-yloxy-1H-imidazole
SMILESCC(C)Oc1cnc([N+](=O)[O-])[nH]1
InChIInChI=1S/C6H9N3O3/c1-4(2)12-5-3-7-6(8-5)9(10)11/h3-4H,1-2H3,(H,7,8)
InChIKeyHJEMLTZXNTXLSI-UHFFFAOYSA-N
XLogP1.11
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
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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Related Compounds

5-bromo-2-nitro-1H-imidazole
CID 14358387
2-nitro-1H-imidazol-5-amine
CID 68978949
2,5-dinitro-1H-imidazole;N-methylmethanamine
CID 175484751
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
5-ethynyl-2-nitro-1H-imidazole
CID 119085710
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
2-(2-nitro-1H-imidazol-5-yl)ethanol
CID 54077026
4-methyl-5-nitro-2-propan-2-yloxypyridin-3-amine
CID 175382524
methanol;2-nitro-1H-imidazole
CID 67614962
2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
CID 167456886
potassium 2-nitro-1H-imidazole
CID 23707816
3-nitro-5-propan-2-yloxypyridin-4-amine
CID 130057896

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-propan-2-yloxy-1H-imidazole?
The IUPAC name of 2-nitro-5-propan-2-yloxy-1H-imidazole (CID 19855279) is 2-nitro-5-propan-2-yloxy-1H-imidazole.
What is the SMILES notation for 2-nitro-5-propan-2-yloxy-1H-imidazole?
The canonical SMILES for 2-nitro-5-propan-2-yloxy-1H-imidazole is CC(C)Oc1cnc([N+](=O)[O-])[nH]1.
What is the InChIKey of 2-nitro-5-propan-2-yloxy-1H-imidazole?
The InChIKey is HJEMLTZXNTXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4(2)12-5-3-7-6(8-5)9(10)11/h3-4H,1-2H3,(H,7,8).
What are the key properties of 2-nitro-5-propan-2-yloxy-1H-imidazole?
2-nitro-5-propan-2-yloxy-1H-imidazole has a molecular weight of 171.16 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-propan-2-yloxy-1H-imidazole is sourced from PubChem (CID 19855279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).