1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine

C12H19N3 — CID 147134337

IUPAC1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCC(C)C1=NC2N=CC=CC2N1C(C)C
InChIInChI=1S/C12H19N3/c1-8(2)12-14-11-10(6-5-7-13-11)15(12)9(3)4/h5-11H,1-4H3
InChIKeyBQVWYUZMVXDFHM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds2

About 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine

1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine (PubChem CID 147134337) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine
PubChem CID147134337
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCC(C)C1=NC2N=CC=CC2N1C(C)C
InChIInChI=1S/C12H19N3/c1-8(2)12-14-11-10(6-5-7-13-11)15(12)9(3)4/h5-11H,1-4H3
InChIKeyBQVWYUZMVXDFHM-UHFFFAOYSA-N
XLogP2.10
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine (CID 147134337) is 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine is CC(C)C1=NC2N=CC=CC2N1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine?
The InChIKey is BQVWYUZMVXDFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8(2)12-14-11-10(6-5-7-13-11)15(12)9(3)4/h5-11H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine?
1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine has a molecular weight of 205.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 147134337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).