5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)

C13H17N2Rb — CID 177176727

IUPAC5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
SMILESCC(C)c1cc(C(C)C)n2[c-]ncc2c1.[Rb+]
InChIInChI=1S/C13H17N2.Rb/c1-9(2)11-5-12-7-14-8-15(12)13(6-11)10(3)4;/h5-7,9-10H,1-4H3;/q-1;+1
InChIKeyLFFBCSXTPKFMSL-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.39
Rot. Bonds2

About 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)

5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+) (PubChem CID 177176727) has the molecular formula C13H17N2Rb and a molecular weight of 286.76 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+).

Molecular Properties

Compound Name5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
PubChem CID177176727
Molecular FormulaC13H17N2Rb
Molecular Weight286.76 g/mol
Exact Mass286.05
IUPAC Name5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
SMILESCC(C)c1cc(C(C)C)n2[c-]ncc2c1.[Rb+]
InChIInChI=1S/C13H17N2.Rb/c1-9(2)11-5-12-7-14-8-15(12)13(6-11)10(3)4;/h5-7,9-10H,1-4H3;/q-1;+1
InChIKeyLFFBCSXTPKFMSL-UHFFFAOYSA-N
XLogP0.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Propan-2-yl-4-propyl-6,7-dihydropyrrolo[1,2-c]pyrimidine
CID 90857986
N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium
CID 164767452
1-(3-Methylbutyl)-5,6-dihydrobenzimidazole
CID 175624984
6,7-diethyl-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
CID 177176406
5-ethyl-7-propan-2-yl-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
CID 177176418
methane;5-methyl-7-propan-2-yl-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
CID 177176640
N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine
CID 164767453

Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)?
The IUPAC name of 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+) (CID 177176727) is 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+).
What is the SMILES notation for 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)?
The canonical SMILES for 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+) is CC(C)c1cc(C(C)C)n2[c-]ncc2c1.[Rb+].
What is the InChIKey of 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)?
The InChIKey is LFFBCSXTPKFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2.Rb/c1-9(2)11-5-12-7-14-8-15(12)13(6-11)10(3)4;/h5-7,9-10H,1-4H3;/q-1;+1.
What are the key properties of 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)?
5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+) has a molecular weight of 286.76 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+) is sourced from PubChem (CID 177176727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).