1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C7H11N3 — CID 171036994

IUPAC1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILES[2H]C([2H])([2H])n1cnc2c1CCNC2
InChIInChI=1S/C7H11N3/c1-10-5-9-6-4-8-3-2-7(6)10/h5,8H,2-4H2,1H3/i1D3
InChIKeyMSSJBRXYLYSRLI-FIBGUPNXSA-N
MW140.20 g/mol
LogP0.07
Rot. Bonds1

About 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 171036994) has the molecular formula C7H11N3 and a molecular weight of 140.20 g/mol. Its IUPAC name is 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID171036994
Molecular FormulaC7H11N3
Molecular Weight140.20 g/mol
Exact Mass140.11
IUPAC Name1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILES[2H]C([2H])([2H])n1cnc2c1CCNC2
InChIInChI=1S/C7H11N3/c1-10-5-9-6-4-8-3-2-7(6)10/h5,8H,2-4H2,1H3/i1D3
InChIKeyMSSJBRXYLYSRLI-FIBGUPNXSA-N
XLogP0.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 171036994) is 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is [2H]C([2H])([2H])n1cnc2c1CCNC2.
What is the InChIKey of 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MSSJBRXYLYSRLI-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H11N3/c1-10-5-9-6-4-8-3-2-7(6)10/h5,8H,2-4H2,1H3/i1D3.
What are the key properties of 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 140.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 171036994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).