6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde

C6H7N3O — CID 82418579

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde
SMILESO=Cc1nnc2n1CCC2
InChIInChI=1S/C6H7N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h4H,1-3H2
InChIKeyGUUXIRCMORKOCO-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.04
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde (PubChem CID 82418579) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde
PubChem CID82418579
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde
SMILESO=Cc1nnc2n1CCC2
InChIInChI=1S/C6H7N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h4H,1-3H2
InChIKeyGUUXIRCMORKOCO-UHFFFAOYSA-N
XLogP0.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde (CID 82418579) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde is O=Cc1nnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde?
The InChIKey is GUUXIRCMORKOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carbaldehyde is sourced from PubChem (CID 82418579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).