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

C7H9N3 — CID 89021094

IUPAC2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine
SMILESCC1=NC2C=CN=CC2N1
InChIInChI=1S/C7H9N3/c1-5-9-6-2-3-8-4-7(6)10-5/h2-4,6-7H,1H3,(H,9,10)
InChIKeyTWDBJVXUKNLESU-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.34
Rot. Bonds

About 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine

2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine (PubChem CID 89021094) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine
PubChem CID89021094
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine
SMILESCC1=NC2C=CN=CC2N1
InChIInChI=1S/C7H9N3/c1-5-9-6-2-3-8-4-7(6)10-5/h2-4,6-7H,1H3,(H,9,10)
InChIKeyTWDBJVXUKNLESU-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 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine (CID 89021094) is 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine is CC1=NC2C=CN=CC2N1.
What is the InChIKey of 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine?
The InChIKey is TWDBJVXUKNLESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5-9-6-2-3-8-4-7(6)10-5/h2-4,6-7H,1H3,(H,9,10).
What are the key properties of 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine?
2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]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 2-methyl-3a,7a-dihydro-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 89021094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).