3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine

C8H11N3 — CID 123974294

IUPAC3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCC1=CC2N=CN(C)C2N=C1
InChIInChI=1S/C8H11N3/c1-6-3-7-8(9-4-6)11(2)5-10-7/h3-5,7-8H,1-2H3
InChIKeyOYXUQCNTNSOSFP-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.69
Rot. Bonds

About 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine

3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine (PubChem CID 123974294) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
PubChem CID123974294
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
SMILESCC1=CC2N=CN(C)C2N=C1
InChIInChI=1S/C8H11N3/c1-6-3-7-8(9-4-6)11(2)5-10-7/h3-5,7-8H,1-2H3
InChIKeyOYXUQCNTNSOSFP-UHFFFAOYSA-N
XLogP0.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 23521375
1-Methyl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 68029923
2-Ethyl-3,5,7-trimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 70344580
5,6-Dimethyl-3-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 135195563
6-Methyl-3-propan-2-yl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 135195567
3-Methyl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 139334053
1,2-Di(propan-2-yl)-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 147134337
3,5-Dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine
CID 158162407
6-tert-butyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
CID 176546552

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine (CID 123974294) is 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine is CC1=CC2N=CN(C)C2N=C1.
What is the InChIKey of 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
The InChIKey is OYXUQCNTNSOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-7-8(9-4-6)11(2)5-10-7/h3-5,7-8H,1-2H3.
What are the key properties of 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine?
3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine has a molecular weight of 149.20 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3a,7a-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 123974294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).