2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C12H11N5O — CID 61346910

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1nc(C)n(-c2nc3ccccn3c2C=O)n1
InChIInChI=1S/C12H11N5O/c1-8-13-9(2)17(15-8)12-10(7-18)16-6-4-3-5-11(16)14-12/h3-7H,1-2H3
InChIKeyYDKKCFLCCZIANW-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.34
Rot. Bonds2

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 61346910) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID61346910
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1nc(C)n(-c2nc3ccccn3c2C=O)n1
InChIInChI=1S/C12H11N5O/c1-8-13-9(2)17(15-8)12-10(7-18)16-6-4-3-5-11(16)14-12/h3-7H,1-2H3
InChIKeyYDKKCFLCCZIANW-UHFFFAOYSA-N
XLogP1.34
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 61346910) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is Cc1nc(C)n(-c2nc3ccccn3c2C=O)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is YDKKCFLCCZIANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-13-9(2)17(15-8)12-10(7-18)16-6-4-3-5-11(16)14-12/h3-7H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 61346910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).