1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide

C12H12Br2N4O — CID 139721044

IUPAC1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide
SMILESBr.C[n+]1ccn2cc(-c3ccccn3)[nH]c(=O)c21.[Br-]
InChIInChI=1S/C12H10N4O.2BrH/c1-15-6-7-16-8-10(14-11(17)12(15)16)9-4-2-3-5-13-9;;/h2-8H,1H3;2*1H
InChIKeyHDAPCCNZKSACMD-UHFFFAOYSA-N
MW388.06 g/mol
LogP-1.90
Rot. Bonds1

About 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide

1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide (PubChem CID 139721044) has the molecular formula C12H12Br2N4O and a molecular weight of 388.06 g/mol. Its IUPAC name is 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide.

Molecular Properties

Compound Name1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide
PubChem CID139721044
Molecular FormulaC12H12Br2N4O
Molecular Weight388.06 g/mol
Exact Mass385.94
IUPAC Name1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide
SMILESBr.C[n+]1ccn2cc(-c3ccccn3)[nH]c(=O)c21.[Br-]
InChIInChI=1S/C12H10N4O.2BrH/c1-15-6-7-16-8-10(14-11(17)12(15)16)9-4-2-3-5-13-9;;/h2-8H,1H3;2*1H
InChIKeyHDAPCCNZKSACMD-UHFFFAOYSA-N
XLogP-1.90
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-6-pyridin-2-yl-1H-pyridin-2-one
CID 121218166
2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 129448586
3-(4-methoxyphenyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 139267080
3-methyl-6,8,13-triaza-3-azoniatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 14358438
6-pyridin-2-yl-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206451
4-methyl-3-pyridin-2-yl-1,2,4-thiadiazol-5-one
CID 15074070
3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 125152328
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-(2-pentyl-1H-pyrazol-2-ium-5-yl)pyridine chloride
CID 139163628
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide?
The IUPAC name of 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide (CID 139721044) is 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide.
What is the SMILES notation for 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide?
The canonical SMILES for 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide is Br.C[n+]1ccn2cc(-c3ccccn3)[nH]c(=O)c21.[Br-].
What is the InChIKey of 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide?
The InChIKey is HDAPCCNZKSACMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.2BrH/c1-15-6-7-16-8-10(14-11(17)12(15)16)9-4-2-3-5-13-9;;/h2-8H,1H3;2*1H.
What are the key properties of 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide?
1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide has a molecular weight of 388.06 g/mol, XLogP of -1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-pyridin-2-yl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one;bromide;hydrobromide is sourced from PubChem (CID 139721044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).