3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde

C7H9N3O — CID 12037662

IUPAC3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2nc[nH]c2C1
InChIInChI=1S/C7H9N3O/c11-5-10-2-1-6-7(3-10)9-4-8-6/h4-5H,1-3H2,(H,8,9)
InChIKeyCTFCIKLBPYXCTB-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.08
Rot. Bonds1

About 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde

3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde (PubChem CID 12037662) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde
PubChem CID12037662
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2nc[nH]c2C1
InChIInChI=1S/C7H9N3O/c11-5-10-2-1-6-7(3-10)9-4-8-6/h4-5H,1-3H2,(H,8,9)
InChIKeyCTFCIKLBPYXCTB-UHFFFAOYSA-N
XLogP-0.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde?
The IUPAC name of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde (CID 12037662) is 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde?
The canonical SMILES for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde is O=CN1CCc2nc[nH]c2C1.
What is the InChIKey of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde?
The InChIKey is CTFCIKLBPYXCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-5-10-2-1-6-7(3-10)9-4-8-6/h4-5H,1-3H2,(H,8,9).
What are the key properties of 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde?
3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 12037662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).