1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde

C10H10N6O — CID 134537911

IUPAC1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2c(nnn2-c2ncccn2)C1
InChIInChI=1S/C10H10N6O/c17-7-15-5-2-9-8(6-15)13-14-16(9)10-11-3-1-4-12-10/h1,3-4,7H,2,5-6H2
InChIKeyRNNYBVWFVZLXHE-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.43
Rot. Bonds2

About 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde

1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde (PubChem CID 134537911) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
PubChem CID134537911
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
SMILESO=CN1CCc2c(nnn2-c2ncccn2)C1
InChIInChI=1S/C10H10N6O/c17-7-15-5-2-9-8(6-15)13-14-16(9)10-11-3-1-4-12-10/h1,3-4,7H,2,5-6H2
InChIKeyRNNYBVWFVZLXHE-UHFFFAOYSA-N
XLogP-0.43
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
The IUPAC name of 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde (CID 134537911) is 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
The canonical SMILES for 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde is O=CN1CCc2c(nnn2-c2ncccn2)C1.
What is the InChIKey of 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
The InChIKey is RNNYBVWFVZLXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O/c17-7-15-5-2-9-8(6-15)13-14-16(9)10-11-3-1-4-12-10/h1,3-4,7H,2,5-6H2.
What are the key properties of 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde?
1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde has a molecular weight of 230.23 g/mol, XLogP of -0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde is sourced from PubChem (CID 134537911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).