8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)

C8H10BrN4RbS — CID 172620935

IUPAC8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)
SMILESCC.Nc1nccn2c([S-])nc(Br)c12.[Rb+]
InChIInChI=1S/C6H5BrN4S.C2H6.Rb/c7-4-3-5(8)9-1-2-11(3)6(12)10-4;1-2;/h1-2H,(H2,8,9)(H,10,12);1-2H3;/q;;+1/p-1
InChIKeyIFLOBWFYYJXJNP-UHFFFAOYSA-M
MW359.64 g/mol
LogP-0.99
Rot. Bonds

About 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)

8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+) (PubChem CID 172620935) has the molecular formula C8H10BrN4RbS and a molecular weight of 359.64 g/mol. Its IUPAC name is 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+).

Molecular Properties

Compound Name8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)
PubChem CID172620935
Molecular FormulaC8H10BrN4RbS
Molecular Weight359.64 g/mol
Exact Mass357.89
IUPAC Name8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)
SMILESCC.Nc1nccn2c([S-])nc(Br)c12.[Rb+]
InChIInChI=1S/C6H5BrN4S.C2H6.Rb/c7-4-3-5(8)9-1-2-11(3)6(12)10-4;1-2;/h1-2H,(H2,8,9)(H,10,12);1-2H3;/q;;+1/p-1
InChIKeyIFLOBWFYYJXJNP-UHFFFAOYSA-M
XLogP-0.99
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-tert-butylsulfanylimidazo[1,5-a]pyrazin-8-amine
CID 16753771
1-bromo-3-(1,3,3-trimethylcyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 121455610
1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
1-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 172620939
4-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,4-dimethylcyclohexane-1-carboxylic acid
CID 121457470
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
1-bromo-3-(4-ethyl-2,2,5,5-tetrafluoro-1-bicyclo[2.2.2]octanyl)imidazo[1,5-a]pyrazin-8-amine
CID 121455838
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 157102374
trans-methyl (1R,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-3-methyl-1-propan-2-ylcyclopentane-1-carboxylate
CID 121455522
cis-propan-2-yl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,3-dimethylcyclopentane-1-carboxylate
CID 121455661
1-bromo-8-chloro-3-methylimidazo[1,5-a]pyrazine;ethane
CID 145329681
3-bromoimidazo[1,5-a]pyrazin-8-amine
CID 175669311

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)?
The IUPAC name of 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+) (CID 172620935) is 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+).
What is the SMILES notation for 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)?
The canonical SMILES for 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+) is CC.Nc1nccn2c([S-])nc(Br)c12.[Rb+].
What is the InChIKey of 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)?
The InChIKey is IFLOBWFYYJXJNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5BrN4S.C2H6.Rb/c7-4-3-5(8)9-1-2-11(3)6(12)10-4;1-2;/h1-2H,(H2,8,9)(H,10,12);1-2H3;/q;;+1/p-1.
What are the key properties of 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+)?
8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+) has a molecular weight of 359.64 g/mol, XLogP of -0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-bromoimidazo[1,5-a]pyrazine-3-thiolate;ethane;rubidium(1+) is sourced from PubChem (CID 172620935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).