7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one

C12H14N4O3 — CID 155549113

IUPAC7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2nc([N+](=O)[O-])cn2ccn1C1CCCCC1
InChIInChI=1S/C12H14N4O3/c17-12-11-13-10(16(18)19)8-14(11)6-7-15(12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyLYDOSNLENUFVNN-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.91
Rot. Bonds2

About 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one

7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one (PubChem CID 155549113) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
PubChem CID155549113
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2nc([N+](=O)[O-])cn2ccn1C1CCCCC1
InChIInChI=1S/C12H14N4O3/c17-12-11-13-10(16(18)19)8-14(11)6-7-15(12)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyLYDOSNLENUFVNN-UHFFFAOYSA-N
XLogP1.91
TPSA82.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
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

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CID 134137625
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CID 672156
N-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
N-cycloheptyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 6456882
N,N,1-trimethyl-5-nitroimidazole-2-carboxamide
CID 125500274
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
(1-Methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 134138491
N-cyclopropyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134142541
N-cyclopentyl-2-(4-nitroimidazol-1-yl)acetamide
CID 820110
N-(methylpropyl)-2-(4-nitroimidazolyl)acetamide
CID 3103705
1-(Cyclohexylmethyl)-4-nitroimidazole-2-carboxamide
CID 134138349
1-(Cyclohexylmethyl)-5-nitroimidazole-2-carboxamide
CID 134152602

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one (CID 155549113) is 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one is O=c1c2nc([N+](=O)[O-])cn2ccn1C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
The InChIKey is LYDOSNLENUFVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-12-11-13-10(16(18)19)8-14(11)6-7-15(12)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one?
7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one has a molecular weight of 262.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 155549113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).