6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine

C10H15N3 — CID 176546552

IUPAC6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
SMILESCC(C)(C)C1=CC2N=CNC2N=C1
InChIInChI=1S/C10H15N3/c1-10(2,3)7-4-8-9(11-5-7)13-6-12-8/h4-6,8-9H,1-3H3,(H,12,13)
InChIKeyVHBHAYSHFNFMAY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.37
Rot. Bonds

About 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine

6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine (PubChem CID 176546552) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
PubChem CID176546552
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
SMILESCC(C)(C)C1=CC2N=CNC2N=C1
InChIInChI=1S/C10H15N3/c1-10(2,3)7-4-8-9(11-5-7)13-6-12-8/h4-6,8-9H,1-3H3,(H,12,13)
InChIKeyVHBHAYSHFNFMAY-UHFFFAOYSA-N
XLogP1.37
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine (CID 176546552) is 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine is CC(C)(C)C1=CC2N=CNC2N=C1.
What is the InChIKey of 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
The InChIKey is VHBHAYSHFNFMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-10(2,3)7-4-8-9(11-5-7)13-6-12-8/h4-6,8-9H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine has a molecular weight of 177.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 176546552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).