6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one

C12H8N4O3 — CID 70057334

IUPAC6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cn2ccnc12
InChIInChI=1S/C12H8N4O3/c17-12-11-13-4-5-15(11)7-10(14-12)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,14,17)
InChIKeyMJYIBBMCMOUDBC-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.60
Rot. Bonds2

About 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one

6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one (PubChem CID 70057334) has the molecular formula C12H8N4O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one
PubChem CID70057334
Molecular FormulaC12H8N4O3
Molecular Weight256.22 g/mol
Exact Mass256.06
IUPAC Name6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one
SMILESO=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cn2ccnc12
InChIInChI=1S/C12H8N4O3/c17-12-11-13-4-5-15(11)7-10(14-12)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,14,17)
InChIKeyMJYIBBMCMOUDBC-UHFFFAOYSA-N
XLogP1.60
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
2-[6-(3-nitrophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82517135
4-(2-ethylimidazol-1-yl)-6-(3-nitrophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110435887
1-ethyl-5-(3-nitrophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 17160078
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
5-iodo-2-(3-nitrophenyl)-1H-pyrimidin-6-one
CID 66315548
3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
3-(3-nitrophenyl)-1H-pyrazine-2-thione
CID 106515750
8-(2-methyl-5-nitrophenoxy)imidazo[1,2-a]pyrazin-6-amine
CID 80878888
CID 66849213
CID 66849213
2-(3-nitrophenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158631
N-methyl-3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 60841562

Frequently Asked Questions

What is the IUPAC name of 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one (CID 70057334) is 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one is O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cn2ccnc12.
What is the InChIKey of 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one?
The InChIKey is MJYIBBMCMOUDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O3/c17-12-11-13-4-5-15(11)7-10(14-12)8-2-1-3-9(6-8)16(18)19/h1-7H,(H,14,17).
What are the key properties of 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one?
6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one has a molecular weight of 256.22 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)-7H-imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 70057334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).