2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine

C9H13N3 — CID 118489358

IUPAC2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC(C)C1=NC2N=CC=CC2N1
InChIInChI=1S/C9H13N3/c1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3-7,9H,1-2H3,(H,11,12)
InChIKeyJYTUDYGBMRCVMF-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.98
Rot. Bonds1

About 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine

2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine (PubChem CID 118489358) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
PubChem CID118489358
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
SMILESCC(C)C1=NC2N=CC=CC2N1
InChIInChI=1S/C9H13N3/c1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3-7,9H,1-2H3,(H,11,12)
InChIKeyJYTUDYGBMRCVMF-UHFFFAOYSA-N
XLogP0.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489343
2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 155148574
(3aR,7aS)-3-propan-2-yl-3a,7a-dihydrothieno[2,3-b]pyridine
CID 167221524
2-propan-2-yl-2,3-dihydropyridine
CID 91526421
3a,7a-dihydro-3H-pyrrolo[2,3-b]pyridine
CID 91307094
2-methyl-3-propan-2-yl-2,3-dihydropyridine
CID 134320651
(7aR)-2-methyl-3a,7a-dihydro-1H-benzimidazole
CID 89016466
2-propan-2-yl-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazole
CID 126655176
2-propan-2-yl-3a,4,5,6,7,7a-hexahydro-1H-imidazo[4,5-b]pyridine
CID 137437974
1,3a,4,8a-tetrahydropyrrolo[2,3-b]azepine
CID 143712177
7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one
CID 176653755
2,3-dimethyl-2,3-dihydropyridine
CID 19937065

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine (CID 118489358) is 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine is CC(C)C1=NC2N=CC=CC2N1.
What is the InChIKey of 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
The InChIKey is JYTUDYGBMRCVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)8-11-7-4-3-5-10-9(7)12-8/h3-7,9H,1-2H3,(H,11,12).
What are the key properties of 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine?
2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine has a molecular weight of 163.22 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 118489358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).