1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde

C10H16N4O — CID 12037659

IUPAC1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
SMILESCCC1c2nnn(CC)c2CCN1C=O
InChIInChI=1S/C10H16N4O/c1-3-8-10-9(5-6-13(8)7-15)14(4-2)12-11-10/h7-8H,3-6H2,1-2H3
InChIKeyNNGFJEQODRCUPL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.76
Rot. Bonds3

About 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde

1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde (PubChem CID 12037659) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
PubChem CID12037659
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
SMILESCCC1c2nnn(CC)c2CCN1C=O
InChIInChI=1S/C10H16N4O/c1-3-8-10-9(5-6-13(8)7-15)14(4-2)12-11-10/h7-8H,3-6H2,1-2H3
InChIKeyNNGFJEQODRCUPL-UHFFFAOYSA-N
XLogP0.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.76
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 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
The IUPAC name of 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde (CID 12037659) is 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
The canonical SMILES for 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde is CCC1c2nnn(CC)c2CCN1C=O.
What is the InChIKey of 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
The InChIKey is NNGFJEQODRCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-8-10-9(5-6-13(8)7-15)14(4-2)12-11-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 12037659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).