5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine

C7H9N3 — CID 176545704

IUPAC5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
SMILESCC1=NC2NC=NC2C=C1
InChIInChI=1S/C7H9N3/c1-5-2-3-6-7(10-5)9-4-8-6/h2-4,6-7H,1H3,(H,8,9)
InChIKeyZTKMUWUVDDPMPQ-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.34
Rot. Bonds

About 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine

5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine (PubChem CID 176545704) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
PubChem CID176545704
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine
SMILESCC1=NC2NC=NC2C=C1
InChIInChI=1S/C7H9N3/c1-5-2-3-6-7(10-5)9-4-8-6/h2-4,6-7H,1H3,(H,8,9)
InChIKeyZTKMUWUVDDPMPQ-UHFFFAOYSA-N
XLogP0.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine (CID 176545704) is 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine is CC1=NC2NC=NC2C=C1.
What is the InChIKey of 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
The InChIKey is ZTKMUWUVDDPMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5-2-3-6-7(10-5)9-4-8-6/h2-4,6-7H,1H3,(H,8,9).
What are the key properties of 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine?
5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine has a molecular weight of 135.17 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3a,7a-dihydro-3H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 176545704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).